SCHEMBL31064970

SCHEMBL31064970

CC(C)(C)Oc1ccc(-c2cc3cccnc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 20/20 1.00
CCNB2 O95067 1/20 0.72
CDK1 P06493 1/20 0.72
CCNB1 P14635 1/20 0.72
CCNB3 Q8WWL7 1/20 0.72

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
SCHEMBL1778522 0.84 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064954 0.84 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL18741078 0.82 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL18767004 0.81 RIPK1 (0.72) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31065006 0.80 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL24655593 0.79 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL26670146 0.77 RIPK1 (0.62) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778505 0.77 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29755934 0.76 RIPK1 (0.60) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1780494 0.76 RIPK1 (0.71) 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