SCHEMBL31064962

SCHEMBL31064962

Oc1cccc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.69
CDK8 P49336 14/20 0.69
AXL P30530 2/20 0.69
CDK7 P50613 2/20 0.66
MAP4K4 O95819 2/20 0.66
CHEK2 O96017 2/20 0.66
CDK1 P06493 2/20 0.66
FES P07332 2/20 0.66
ROS1 P08922 2/20 0.66
FER P16591 2/20 0.66
FLT4 P35916 2/20 0.66
KDR P35968 2/20 0.66
IRAK1 P51617 2/20 0.66
ROCK1 Q13464 2/20 0.66
PKN2 Q16513 2/20 0.66
MARK2 Q7KZI7 2/20 0.66
MINK1 Q8N4C8 2/20 0.66
AURKB Q96GD4 2/20 0.66
SLK Q9H2G2 2/20 0.66
MKNK2 Q9HBH9 2/20 0.66

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
SCHEMBL4165829 1.00 RIPK1 (0.69) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL4831501 0.83 CDK8 (0.81) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL3136284 0.83 CDK8 (0.71) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL22978455 0.82 RIPK1 (1.00) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL410704 0.82 CDK8 (1.00) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL857125 0.81 CDK8 (0.69) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL857038 0.81 CDK8 (0.69) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL857974 0.81 CDK8 (1.00) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL857070 0.80 CDK8 (1.00) RIPK1CDK8AXLCDK7MAP4K4
SCHEMBL30368585 0.80 CDK8 (1.00) RIPK1CDK8AXLCDK7MAP4K4

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