SCHEMBL24817010

SCHEMBL24817010

Nc1cccc(N2CC(F)(F)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ NOS3 P29474 3/20 0.36
▸ NOS2 P35228 3/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ HTR3A P46098 7/20 0.33
▸ HTR3E A5X5Y0 5/20 0.33
▸ HTR3B O95264 5/20 0.33
▸ HTR3D Q70Z44 5/20 0.33
▸ HTR3C Q8WXA8 5/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL22163200 0.86 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30788618 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17609530 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22471258 0.79 GRIN2B (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30464684 0.79 GRIN2B (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20909913 0.78 HTR3E (0.56) GRIN2BNOS3NOS2HTR3AHTR3E
SCHEMBL23967086 0.78 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23966990 0.78 HTR3E (0.54) PDE10AHTR3AHTR3EHTR3BHTR3D
SCHEMBL31696820 0.77 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15725264 0.77 PDE10A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2022268230-A1 COMPOUND AS KIF18A INHIBITOR 杭州英创医药科技有限公司 2022-12-29 — — WO disclosed
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