SCHEMBL7500128

SCHEMBL7500128

COc1ccc(CNc2ncnc3ccc(Cl)cc23)cc1N

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.67
MAPK1 P28482 3/20 0.65
HTT P42858 5/20 0.61
RAF1 P04049 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.57
PDE5A O76074 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 3/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
EGFR P00533 4/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
LCK P06239 1/20 0.51

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
Hydrochloric Acid SCHEMBL7502866 0.99 STAT1 (0.66) STAT1MAPK1HTTRAF1SMN1; SMN2
SCHEMBL7500245 0.90 STAT1 (0.83) STAT1MAPK1HTTRAF1SMN1; SMN2
Hydrochloric Acid SCHEMBL27452405 0.88 STAT1 (0.69) STAT1MAPK1HTTRAF1SMN1; SMN2
SCHEMBL7496274 0.85 PDE5A (0.63) STAT1MAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL13192087 0.83 MAPK1 (0.65) STAT1MAPK1HTTRAF1SMN1; SMN2
SCHEMBL4778469 0.82 MAPK1 (0.65) STAT1MAPK1HTTRAF1SMN1; SMN2
SCHEMBL7497208 0.82 STAT1 (0.61) STAT1MAPK1HTTRAF1SMN1; SMN2
SCHEMBL7544551 0.82 STAT1 (0.61) STAT1MAPK1HTTRAF1SMN1; SMN2
SCHEMBL13192093 0.81 EGFR (0.67) MAPK1HTTSMN1; SMN2ALDH1A1PDE5A
SCHEMBL9921508 0.80 HTT (0.74) MAPK1HTTSMN1; SMN2ALDH1A1PDE5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed