SCHEMBL6102552

SCHEMBL6102552

CCOc1[c]cc2c(Nc3ccc(OCc4cccnc4)c(Cl)c3)nc(C(N)=O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.46
KDR P35968 2/20 0.46
STK4 Q13043 1/20 0.45
ERBB2 P04626 14/20 0.45
FLT1 P17948 1/20 0.45
EPHA2 P29317 1/20 0.45
EPHB4 P54760 1/20 0.45
ERBB4 Q15303 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL4868534 0.94 KDR (0.49) EGFRKDRSTK4ERBB2FLT1
SCHEMBL6103472 0.89 EGFR (0.48) EGFRKDRERBB2FLT1EPHA2
SCHEMBL5125813 0.87 EGFR (0.42) EGFRKDRSTK4ERBB2FLT1
SCHEMBL4861054 0.87 ERBB2 (0.54) EGFRSTK4ERBB2ERBB4AURKA
SCHEMBL4867050 0.85 EGFR (0.47) EGFRKDRSTK4ERBB2FLT1
SCHEMBL4858950 0.85 EGFR (0.50) EGFRERBB2
SCHEMBL2255343 0.82 AURKA (0.54) EGFRERBB2ERBB4AURKARPS6KB1
SCHEMBL4865094 0.81 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL26636 0.81 EGFR (0.47) EGFRERBB2ERBB4AURKARPS6KB1
SCHEMBL4868107 0.80 AURKA (0.51) EGFRSTK4ERBB2ERBB4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed