SCHEMBL6997520

SCHEMBL6997520

OCc1ccc2ccnc(Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.56
RECQL P46063 1/20 0.52
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
PMP22 Q01453 1/20 0.43
PARG Q86W56 1/20 0.40
MAOA P21397 1/20 0.38
DYRK1A Q13627 1/20 0.38
HIPK2 Q9H2X6 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL7390612 0.86 PLAU (0.43) PLAURECQLCYP3A4LMNAMAPT
SCHEMBL26928486 0.86 RECQL (0.52) PLAURECQLCYP3A4LMNAMAPT
SCHEMBL6990828 0.84 CYP3A4 (0.44) PLAURECQLCYP3A4LMNAMAPT
Hydrochloric Acid SCHEMBL6993550 0.82 CYP3A4 (0.43) PLAURECQLCYP3A4LMNAMAPT
SCHEMBL7214319 0.82 CYP3A4 (0.43) PLAURECQLCYP3A4LMNAMAPT
SCHEMBL6983215 0.79 PLAU (0.60) PLAURECQLMAOADYRK1AROCK1
SCHEMBL28341872 0.78 CYP3A4 (0.40) PLAUCYP3A4LMNAMAPTAPEX1
SCHEMBL1243375 0.76 CYP3A4 (0.47) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL1317870 0.75 LMNA (0.50) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL29786977 0.75 LMNA (0.50) CYP3A4LMNAMAPTAPEX1MAPK1

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-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
CN-1275979-A Isoquinoline compounds useful as urokinase inhibitors PFIZER (US) 2000-12-06 CN disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed