SCHEMBL28728372

SCHEMBL28728372

COC(=O)c1ccc2c(n1)NC(=O)C21CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.40
▸ CRBN Q96SW2 3/20 0.39
▸ MAPK1 P28482 2/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ IP6K1 Q92551 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PTGER4 P35408 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAP3K11 Q16584 1/20 0.33

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
SCHEMBL15117450 0.74 BACE1 (0.36) MAPK14IP6K1MAPT
SCHEMBL15147860 0.74 CRBN (0.40) CRBNMAPK1PARP1ALDH1A1PTGER4
SCHEMBL29879054 0.74 CRBN (0.40) CRBNMAPK1PARP1ALDH1A1PTGER4
SCHEMBL5310756 0.72 CRBN (0.44) CRBNMAPK1PARP1
SCHEMBL24306815 0.72 CRBN (0.36) CRBNMAPK1PARP1ALDH1A1
SCHEMBL22711631 0.70 IP6K1 (0.44) CRBNMAPK1PARP1IP6K1
SCHEMBL17436137 0.70 PGR (0.38) MAPK14MAP3K11
SCHEMBL21034342 0.70 MAPK1 (0.37) MAPK1ALDH1A1PTGER4CYP1A2GAA
SCHEMBL31411757 0.70 MAPK14 (0.50) MAPK14IP6K1ALDH1A1CYP1A2
SCHEMBL30681131 0.69 IP6K1 (0.49) MAPK14CRBNPARP1IP6K1

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-109745321-B Pharmaceutical composition comprising FGFR4 inhibitor 上海翰森生物医药科技有限公司 2022-04-29 — — CN disclosed
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