SCHEMBL3834356

SCHEMBL3834356

CCC(c1nc2cc(C(=N)N)ccc2[nH]1)c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.46
F2 P00734 4/20 0.46
TPSAB1 Q15661 3/20 0.46
PRSS1 P07477 3/20 0.46
PLAU P00749 3/20 0.46
PLG P00747 2/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
F7 P08709 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3836516 0.85 ITGB3 (0.47) F10F2TPSAB1PRSS1PLAU
SCHEMBL3830602 0.84 F10 (0.47) F10F2TPSAB1PRSS1PLAU
SCHEMBL12545642 0.84 KDM4E (0.50) F10F2TPSAB1PRSS1PLAU
SCHEMBL7397941 0.82 F7 (0.50) F10F2TPSAB1PRSS1PLAU
SCHEMBL7404851 0.80 MLKL (0.45) F10F2TPSAB1PRSS1PLAU
SCHEMBL7405163 0.80 F2 (0.53) F10F2TPSAB1PRSS1PLAU
SCHEMBL7406501 0.80 F2 (0.53) F10F2TPSAB1PRSS1PLAU
SCHEMBL4309193 0.79 F10 (0.45) F10F2TPSAB1PRSS1PLAU
SCHEMBL7403000 0.78 F10 (0.58) F10F2TPSAB1PRSS1PLAU
SCHEMBL27659971 0.78 F10 (0.60) F10F2TPSAB1PRSS1PLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-2121700-A1 SUBSTITUTED TETRAHYDROQUINOLINES Merck Patent GmbH (DE) 2009-11-25 EP disclosed
EP-2121706-A1 TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER Merck Patent GmbH (DE) 2009-11-25 EP disclosed
EP-2121684-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES Merck Patent GmbH (DE) 2009-11-25 EP disclosed
EP-2104664-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN Merck Patent GmbH (DE) 2009-09-30 EP disclosed
WO-2008113456-A1 TETRAHYDROQUINOLINE DERIVATIVES AND USE OF SAME FOR TREATING CANCER MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
WO-2008113451-A1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed
WO-2005063735-A1 2-(HETERO)-ARYL-SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-07-14 WO disclosed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP disclosed
WO-2005027842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO disclosed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004002430-A2 COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS COMBINATORX INCORPORATED (US) 2004-01-08 WO disclosed