SCHEMBL29425460

SCHEMBL29425460

COc1ccc(CNc2nccc(Cc3cc(C(=O)O)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.46
▸ TNFRSF1A P19438 2/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAP3K9 P80192 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.45
▸ PRKCB P05771 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ STK3 Q13188 1/20 0.45
▸ MAP2K1 Q02750 15/20 0.43
▸ MAP2K2 P36507 1/20 0.42
▸ MAPT P10636 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL27224639 1.00 AURKA (0.46) AURKATNFRSF1AKDRMAP3K9KDM4C
SCHEMBL23694115 0.94 MAP2K1 (0.43) AURKATNFRSF1AKDRMAP3K9KDM4C
SCHEMBL30080297 0.94 MAP2K1 (0.43) AURKATNFRSF1AKDRMAP3K9KDM4C
SCHEMBL38651248 0.88 MAPT (0.44) KDRKDM4CMAPT
SCHEMBL31401592 0.88 MAPT (0.44) KDRKDM4CMAPT
SCHEMBL27224635 0.88 KDM4C (0.45) AURKATNFRSF1AKDRMAP3K9KDM4C
SCHEMBL30866578 0.88 KDM4C (0.45) AURKATNFRSF1AKDRMAP3K9KDM4C
SCHEMBL31401828 0.86 MAPT (0.43) KDRKDM4CMAPT
SCHEMBL23694114 0.86 MAPT (0.43) KDRKDM4CMAPT
SCHEMBL31401761 0.85 MAPT (0.41) KDRKDM4CMAPT

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
WO-2022018875-A1 ARYLAMIDE DERIVATIVE-CONTAINING PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING CELL PROLIFERATION DISEASES 中外製薬株式会社 2022-01-27 — — WO disclosed
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