SCHEMBL30467909

SCHEMBL30467909

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2cc(C)c3ccccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.54
KDR P35968 2/20 0.41
MKNK2 Q9HBH9 6/20 0.40
MKNK1 Q9BUB5 4/20 0.40
LCK P06239 3/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL19337104 1.00 EGFR (0.54) EGFRKDRMKNK2MKNK1LCK
SCHEMBL19707904 0.89 EGFR (0.43) EGFRKDRMKNK2MKNK1
SCHEMBL28392219 0.89 EGFR (0.46) EGFRKDRMKNK2MKNK1LCK
SCHEMBL20610525 0.89 EGFR (0.46) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL19337191 0.89 EGFR (0.43) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL21265492 0.88 CCNT1 (0.46) EGFRKDRMKNK2MKNK1LCK
SCHEMBL30647338 0.88 CCNT1 (0.46) EGFRKDRMKNK2MKNK1LCK
SCHEMBL19337070 0.87 EGFR (0.43) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL19089467 0.85 KDR (0.44) EGFRKDR
SCHEMBL30930115 0.85 KDR (0.43) EGFRKDRMKNK2MKNK1CCNT1

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
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed