SCHEMBL2250506

SCHEMBL2250506

C=CC(=O)N1CC(C(=O)Nc2cc3c(Nc4ccc(OCc5ccccn5)c(Cl)c4)ncnc3cc2OC)C1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.77
ERBB2 P04626 9/20 0.64
LCK P06239 1/20 0.58
ERBB4 Q15303 1/20 0.56

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
SCHEMBL2255502 0.95 EGFR (0.80) EGFRERBB2
SCHEMBL2249849 0.94 EGFR (0.76) EGFRERBB2LCK
SCHEMBL2252459 0.93 EGFR (0.84) EGFRERBB2LCK
SCHEMBL16606118 0.91 EGFR (0.87) EGFRERBB2LCK
SCHEMBL15163375 0.91 EGFR (0.75) EGFRERBB2LCK
SCHEMBL2252541 0.90 EGFR (0.68) EGFRERBB2LCKERBB4
SCHEMBL2249784 0.88 EGFR (0.75) EGFRERBB2LCKERBB4
SCHEMBL15163351 0.88 EGFR (0.81) EGFRERBB2
SCHEMBL2249658 0.87 EGFR (0.70) EGFRERBB2LCKERBB4
SCHEMBL15163349 0.87 EGFR (0.83) EGFRERBB2

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