SCHEMBL22650595

SCHEMBL22650595

CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc5c(c4)CS(=O)(=O)C5)n3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.40
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
PRKCD Q05655 1/20 0.40
CDK4 P11802 6/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 2/20 0.39
CCND1 P24385 2/20 0.39
SYK P43405 4/20 0.38
CDK2 P24941 5/20 0.38
CDK9 P50750 4/20 0.38
GSK3B P49841 4/20 0.38
CCNA2 P20248 3/20 0.38
CDK8 P49336 3/20 0.38
CCND3 P30281 3/20 0.38
CCNT1 O60563 2/20 0.38
CCNK O75909 2/20 0.38

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
SCHEMBL22650918 0.79 DKK1 (0.57) CDK1CCNB1CDK2CDK9GSK3B
SCHEMBL22650923 0.79 MAPK8 (0.54) CDK4CDK1CCNB1CCND1CDK2
SCHEMBL22650920 0.79 CDK2 (0.54) ABL1PDGFRBBCRPDGFRACDK4
SCHEMBL22650919 0.78 CDK2 (0.54) PRKCACDK4CDK1CCNB1CCND1
SCHEMBL22650921 0.78 MTOR (0.49) ABL1BCRCDK4CDK1CCNB1
SCHEMBL22650796 0.76 CDK2 (0.44) CDK4CDK1CCNB1CCND1CDK2
SCHEMBL22650422 0.76 CDK1 (0.41) PRKCAABL1PDGFRBBCRSRC
SCHEMBL22650849 0.76 CDK1 (0.47) CDK1CDK2JAK2JAK3MTOR
SCHEMBL22650927 0.75 CDK2 (0.52) CDK4CDK1CCNB1CCND1CDK2
SCHEMBL22650365 0.71 DYRK1A (0.36) PRKCACDK4CDK1CCNB1CCND1

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
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed