SCHEMBL8236158

SCHEMBL8236158

CC(C)Nc1c(-c2ccnc(NC3CCC(NC(=O)N4CCOCC4)CC3)n2)cnn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.47
GSK3B P49841 6/20 0.47
IRAK4 Q9NWZ3 2/20 0.43
TNF P01375 1/20 0.43
MAPK8 P45983 8/20 0.43
MAPK9 P45984 8/20 0.43
MAPK10 P53779 6/20 0.43
CDK2 P24941 5/20 0.42
JUN P05412 2/20 0.42
CCNE1 P24864 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CCNA1 P78396 1/20 0.41
IKBKB O14920 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK7 P50613 1/20 0.40

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
SCHEMBL8235105 0.91 CDK4 (0.51) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL8227614 0.79 MAPK9 (0.57) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5315804 0.74 CDK4 (0.47) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5315799 0.74 CDK4 (0.47) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5336074 0.73 CDK4 (0.51) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5336071 0.73 CDK4 (0.51) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL8233932 0.73 CDK1 (0.56) CDK4GSK3BIRAK4MAPK8MAPK9
SCHEMBL8233938 0.72 MAPK8 (0.54) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5315259 0.72 MAPK8 (0.54) CDK4GSK3BMAPK8MAPK9MAPK10
SCHEMBL5315255 0.72 MAPK8 (0.54) CDK4GSK3BMAPK8MAPK9MAPK10

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-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed