SCHEMBL31064952

SCHEMBL31064952

O=C(c1ccc(-c2cc3cccnc3[nH]2)cc1)c1ccc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 20/20 0.67
CCNB2 O95067 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52

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
SCHEMBL18741322 0.75 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL10440694 0.75 DOT1L (0.58)
SCHEMBL1780752 0.73 RIPK1 (0.55) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064967 0.73 RIPK1 (1.00) RIPK1
SCHEMBL1778505 0.73 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064985 0.72 RIPK1 (1.00) RIPK1
SCHEMBL24655593 0.72 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL7892114 0.72 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL5907874 0.72 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1780494 0.72 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