SCHEMBL31374627

SCHEMBL31374627

Nc1cc2[nH]c3ncccc3cc-2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 15/20 0.58
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
RET P07949 3/20 0.46
KDR P35968 2/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
DAO P14920 1/20 0.45

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
SCHEMBL3672721 0.77 RIPK1 (0.54) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL20670460 0.77 RIPK1 (0.54) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL14838870 0.76 CCNB2 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31704117 0.76 CCNB2 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL7639694 0.74 RIPK1 (0.59) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31065045 0.73 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL451378 0.73 RIPK1 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL29460546 0.73 RIPK1 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3199154 0.72 RIPK1 (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL23389649 0.71 RIPK1 (0.52) 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-119136795-A Conjugates of small molecule immunopotentiators as adjuvants with enhanced efficacy and reduced toxicity of NFKB activators 芝加哥大学 2024-12-13 CN disclosed