SCHEMBL7982980

SCHEMBL7982980

COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1-c1cncc(C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.61
ERBB2 P04626 1/20 0.61
RET P07949 4/20 0.56
BRAF P15056 5/20 0.48
RAF1 P04049 4/20 0.48
CLK1 P49759 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
KDR P35968 5/20 0.47
KIF5B P33176 1/20 0.46
LCK P06239 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46

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
SCHEMBL7978595 0.92 EGFR (0.62) EGFRERBB2RETBRAFRAF1
SCHEMBL7978607 0.86 EGFR (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7980372 0.86 EGFR (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7980482 0.85 RET (0.58) EGFRERBB2RETBRAFRAF1
SCHEMBL7978778 0.84 EGFR (0.60) EGFRERBB2RETBRAFRAF1
SCHEMBL7980461 0.84 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7980714 0.84 EGFR (0.61) EGFRERBB2RETBRAFRAF1
SCHEMBL7966847 0.82 RET (0.59) EGFRERBB2RETBRAFRAF1
SCHEMBL7979940 0.82 EGFR (0.64) EGFRERBB2RETBRAFRAF1
SCHEMBL7966561 0.81 RET (0.60) EGFRERBB2RETBRAFCLK1

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-6225318-B1 4-aminoquinazolone derivatives PFIZER INC 2001-05-01 US disclosed
EP-0837063-A1 4-Aminoquinazoline derivatives PFIZER INC. (US) 1998-04-22 EP disclosed