SCHEMBL18633089

SCHEMBL18633089

C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(CI)c3)ncnc2cc1OCC[C@@H]1[C@H]2CN(C)C[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.70
▸ ERBB2 P04626 7/20 0.53
▸ ERBB4 Q15303 1/20 0.49

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
SCHEMBL15090806 0.90 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL18633090 0.90 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL10029549 0.90 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL15105075 0.90 EGFR (0.85) EGFRERBB2ERBB4
SCHEMBL15100141 0.85 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL15112830 0.84 EGFR (0.83) EGFRERBB2ERBB4
SCHEMBL15104579 0.82 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL15090473 0.82 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL15104577 0.82 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL15112797 0.82 EGFR (0.80) EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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