SCHEMBL2249658

SCHEMBL2249658

C=CC(=O)N1CC=C[C@H]1C(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.70
ERBB2 P04626 9/20 0.60
LCK P06239 1/20 0.58
ERBB4 Q15303 1/20 0.54
ERBB3 P21860 1/20 0.52
DUS2 Q9NX74 1/20 0.52

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
SCHEMBL15163323 0.90 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL2249784 0.89 EGFR (0.75) EGFRERBB2LCKERBB4
SCHEMBL2249394 0.88 EGFR (0.73) EGFRERBB2LCKERBB4
SCHEMBL2250506 0.87 EGFR (0.77) EGFRERBB2LCKERBB4
SCHEMBL2251513 0.87 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL2248785 0.87 EGFR (0.72) EGFRERBB2LCKERBB4
SCHEMBL2252459 0.86 EGFR (0.84) EGFRERBB2LCK
SCHEMBL2255370 0.85 EGFR (0.74) EGFRERBB2LCKERBB4
SCHEMBL2255502 0.85 EGFR (0.80) EGFRERBB2
SCHEMBL15163063 0.85 EGFR (0.73) EGFRERBB2LCKERBB4

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