SCHEMBL31064954

SCHEMBL31064954

COc1ccc(-c2cc3cccnc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 18/20 1.00
CCNB2 O95067 2/20 1.00
CDK1 P06493 2/20 1.00
CCNB1 P14635 2/20 1.00
CCNB3 Q8WWL7 2/20 1.00
GSK3A P49840 1/20 0.64
GSK3B P49841 1/20 0.64
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
CASP3 P42574 1/20 0.59
RAB9A P51151 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59

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 1.00 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL18741078 0.85 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL28043442 0.85 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL18767004 0.84 RIPK1 (0.72) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064970 0.84 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31065006 0.84 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL24655593 0.83 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778505 0.80 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL4765770 0.80 RIPK1 (0.67) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL30472919 0.80 ADORA2A (0.70) 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