SCHEMBL7236415

SCHEMBL7236415

C/C=C/C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.81
ERBB2 P04626 12/20 0.81
ERBB4 Q15303 2/20 0.62
CHEK2 O96017 1/20 0.62
ROS1 P08922 1/20 0.62
FLT3 P36888 1/20 0.62
AURKB Q96GD4 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
FYN P06241 2/20 0.60
SRC P12931 2/20 0.60
VCP P55072 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
SCHEMBL7236418 1.00 EGFR (0.81) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7236810 0.93 EGFR (0.78) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7236802 0.93 EGFR (0.78) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7234965 0.92 EGFR (0.81) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7234958 0.92 EGFR (0.81) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7236335 0.91 EGFR (0.79) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7236326 0.91 EGFR (0.79) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7234888 0.89 EGFR (1.00) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7243718 0.89 EGFR (0.73) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7243719 0.89 EGFR (0.73) EGFRERBB2ERBB4CHEK2ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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