SCHEMBL7236332

SCHEMBL7236332

C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.67
ERBB2 P04626 5/20 0.67
FYN P06241 7/20 0.64
SRC P12931 7/20 0.64
VCP P55072 1/20 0.60
PIK3CD O00329 1/20 0.57

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
SCHEMBL7236338 1.00 EGFR (0.67) EGFRERBB2FYNSRCVCP
SCHEMBL7236415 0.89 EGFR (0.81) EGFRERBB2FYNSRCVCP
SCHEMBL7236418 0.89 EGFR (0.81) EGFRERBB2FYNSRCVCP
SCHEMBL7243002 0.86 EGFR (0.78) EGFRERBB2FYNSRCVCP
SCHEMBL7243000 0.86 EGFR (0.78) EGFRERBB2FYNSRCVCP
SCHEMBL7242942 0.85 EGFR (0.68) EGFRERBB2FYNSRCVCP
SCHEMBL7236802 0.82 EGFR (0.78) EGFRERBB2FYNSRCVCP
SCHEMBL7236810 0.82 EGFR (0.78) EGFRERBB2FYNSRCVCP
SCHEMBL7234958 0.81 EGFR (0.81) EGFRERBB2FYNSRCVCP
SCHEMBL7234965 0.81 EGFR (0.81) EGFRERBB2FYNSRCVCP

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
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US claimed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US disclosed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed