SCHEMBL19663100

SCHEMBL19663100

CCC(F)c1cc2c(Br)cncc2cc1-c1cnn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.39
BRD4 O60885 1/20 0.39
CCNC P24863 7/20 0.36
CDK8 P49336 7/20 0.36
MET P08581 2/20 0.34
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
AXL P30530 1/20 0.33
MAPK1 P28482 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL30878013 0.88 CREBBP (0.47) CREBBPBRD4CCNCCDK8AXL
SCHEMBL19643965 0.88 CREBBP (0.47) CREBBPBRD4CCNCCDK8AXL
SCHEMBL24368131 0.77 CREBBP (0.44) CREBBPBRD4
SCHEMBL19660413 0.75 CREBBP (0.47) CREBBPBRD4CCNCCDK8
SCHEMBL19663200 0.74 CREBBP (0.47) CREBBPBRD4
SCHEMBL21237550 0.74 CREBBP (0.47) CREBBPBRD4
SCHEMBL21237382 0.72 CREBBP (0.45) CREBBPBRD4
SCHEMBL21419225 0.72 CREBBP (0.49) CREBBPBRD4
SCHEMBL19643357 0.66 CREBBP (0.42) CREBBPBRD4MAPK1
SCHEMBL30878068 0.66 CREBBP (0.42) CREBBPBRD4MAPK1

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-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed