SCHEMBL31064965

SCHEMBL31064965

Oc1ccccc1-c1cc2cccnc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 16/20 1.00
▸ CCNB2 O95067 2/20 0.65
▸ CDK1 P06493 2/20 0.65
▸ CCNB1 P14635 2/20 0.65
▸ CCNB3 Q8WWL7 2/20 0.65
▸ GSK3A P49840 1/20 0.65
▸ GSK3B P49841 1/20 0.65
▸ CDK5 Q00535 1/20 0.65
▸ CDK5R1 Q15078 1/20 0.65
▸ DAO P14920 1/20 0.55
▸ PDE5A O76074 1/20 0.48

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
SCHEMBL2997190 1.00 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3009852 0.85 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL2995238 0.84 RIPK1 (0.73) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3006162 0.84 RIPK1 (0.73) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3004549 0.82 RIPK1 (0.69) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL28277239 0.81 RIPK1 (0.68) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29460546 0.79 RIPK1 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL30694450 0.78 RIPK1 (0.64) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29625211 0.78 RIPK1 (0.64) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064968 0.78 RIPK1 (0.63) RIPK1CCNB2CDK1CCNB1CCNB3

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-118344359-A RIPK1 kinase targeted inhibitor and application thereof 中国药科大学 2024-07-16 — — CN disclosed
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