SCHEMBL6101473

SCHEMBL6101473

NC(=O)c1nc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c2c[c]c(OCCCN3CCOCC3)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.56
▸ ERBB2 P04626 11/20 0.56
▸ STK4 Q13043 1/20 0.49
▸ STK3 Q13188 1/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ JAK3 P52333 1/20 0.44
▸ BTK Q06187 1/20 0.44

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
SCHEMBL4858950 0.89 EGFR (0.50) EGFRERBB2JAK3BTK
SCHEMBL5117292 0.88 EGFR (0.53) EGFRERBB2STK4STK3KCNH2
SCHEMBL4865132 0.86 AURKA (0.52) EGFRERBB2KCNH2AURKARPS6KB1
SCHEMBL4868107 0.86 AURKA (0.51) EGFRERBB2STK4STK3KCNH2
SCHEMBL4861054 0.85 ERBB2 (0.54) EGFRERBB2STK4STK3KCNH2
SCHEMBL2963863 0.85 EGFR (0.53) EGFRERBB2KCNH2JAK3BTK
SCHEMBL2255343 0.84 AURKA (0.54) EGFRERBB2KCNH2AURKARPS6KB1
SCHEMBL4868089 0.84 AURKA (0.52) EGFRERBB2KCNH2AURKARPS6KB1
SCHEMBL5125233 0.83 AURKA (0.51) EGFRERBB2KCNH2AURKARPS6KB1
SCHEMBL4864883 0.82 AURKA (0.57) EGFRERBB2KCNH2AURKARPS6KB1

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
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