SCHEMBL18229877

SCHEMBL18229877

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CCOC3)n1.Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.52
MKNK2 Q9HBH9 3/20 0.40
CCNT1 O60563 4/20 0.37
CDK9 P50750 4/20 0.37
MKNK1 Q9BUB5 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL23925070 0.93 EGFR (0.53) EGFRMKNK2CCNT1CDK9MKNK1
SCHEMBL18202243 0.92 EGFR (0.58) EGFRMKNK2CCNT1CDK9MKNK1
SCHEMBL18202224 0.85 EGFR (0.52) EGFRMKNK2CCNT1CDK9CCNA2
SCHEMBL19921246 0.85 EGFR (0.50) EGFRMKNK2CCNT1CDK9CCNA2
SCHEMBL18202235 0.84 EGFR (0.49) EGFRMKNK2CCNT1CDK9CCNA2
SCHEMBL18202177 0.81 EGFR (0.46) EGFRMKNK2CCNT1CDK9MKNK1
SCHEMBL18202145 0.81 EGFR (0.51) EGFRMKNK2CCNT1CDK9CCNA2
SCHEMBL18202359 0.81 EGFR (0.45) EGFRMKNK2CCNT1CDK9MKNK1
SCHEMBL18202368 0.81 EGFR (0.60) EGFRMKNK2
SCHEMBL18202334 0.80 EGFR (0.73) EGFR

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
EP-3294712-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD Pharmaceuticals, Inc. (US) 2018-03-21 EP disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed