SCHEMBL30996271

SCHEMBL30996271

O=Cc1cnc2c(F)cccc2c1-c1cnc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.40
▸ PARP1 P09874 1/20 0.35
▸ NR1H2 P55055 6/20 0.34
▸ NR1H3 Q13133 6/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MARK3 P27448 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ FRK P42685 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ CSNK2A1 P68400 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
SCHEMBL29267434 1.00 GRM5 (0.40) GRM5PARP1NR1H2NR1H3PRKD3
SCHEMBL29267447 0.80 ERN1 (0.40) CDK2ERN1
SCHEMBL29267432 0.80 PARP1 (0.35) PARP1ERN1TRPV3
SCHEMBL29267459 0.76 PARP1 (0.36) PARP1CLK2CLK4ALOX5APFEN1
SCHEMBL30996273 0.76 PARP1 (0.36) PARP1CLK2CLK4ALOX5APFEN1
SCHEMBL29267465 0.75 GRM5 (0.41) GRM5CLK4ALOX5APFEN1
SCHEMBL27673922 0.74 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL29267457 0.73 SLC22A12 (0.40) PIM1AKT1FLT3PIM3ERN1
SCHEMBL30996237 0.73 SLC22A12 (0.40) PIM1AKT1FLT3PIM3ERN1
SCHEMBL29267446 0.72 PARP1 (0.41) GRM5PARP1PRKD3MAP4K4CDK1

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-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 — — CN disclosed
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