SCHEMBL2250458

SCHEMBL2250458

C=CC(=O)N1CCC1C(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.66
ERBB2 P04626 14/20 0.66
LCK P06239 1/20 0.66
ERBB4 Q15303 1/20 0.52
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL2249347 0.96 ERBB2 (0.66) EGFRERBB2LCKERBB4AURKA
SCHEMBL2249644 0.95 EGFR (0.63) EGFRERBB2LCKERBB4AURKA
SCHEMBL2249784 0.90 EGFR (0.75) EGFRERBB2LCKERBB4
SCHEMBL2250896 0.90 EGFR (0.66) EGFRERBB2LCK
SCHEMBL2249622 0.90 EGFR (0.63) EGFRERBB2LCKERBB4AURKA
SCHEMBL2255170 0.90 ERBB2 (0.67) EGFRERBB2LCKERBB4AURKA
SCHEMBL15162827 0.89 EGFR (0.64) EGFRERBB2LCKERBB4AURKA
SCHEMBL2252515 0.89 EGFR (0.72) EGFRERBB2LCKERBB4
SCHEMBL2247127 0.89 EGFR (0.69) EGFRERBB2LCKERBB4
SCHEMBL2250018 0.88 EGFR (0.68) EGFRERBB2LCK

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
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US claimed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US disclosed