SCHEMBL31527929

SCHEMBL31527929

CSc1nc(S)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSP90AB1 P08238 3/20 0.50
▸ MAP3K5 Q99683 1/20 0.47
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PDPK1 O15530 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ XDH P47989 3/20 0.37
▸ CDK2 P24941 3/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ POLA1 P09884 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PNP P00491 1/20 0.35
▸ G6PD P11413 1/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNA2 P20248 2/20 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
SCHEMBL30834788 0.98 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL639898 0.79 DPP4 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL29728815 0.79 PDPK1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL258583 0.79 PDPK1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL9351658 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL17372399 0.76 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL546891 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL31012324 0.76 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL3857170 0.76 PDPK1 (0.41) CYP1A2CYP2C19HSP90AB1MAP3K5TP53
SCHEMBL1275417 0.75 PDPK1 (0.44) MAP3K5PDPK1GDAXDHCDK2

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-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 — — CN disclosed
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