SCHEMBL21391015

SCHEMBL21391015

Cc1nc2c(F)cc(Br)cc2n1C1(C)CCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.37
CDK2 P24941 3/20 0.37
CDK6 Q00534 3/20 0.37
CDK1 P06493 2/20 0.34
CDK7 P50613 2/20 0.34
CDK9 P50750 2/20 0.34
CDK5 Q00535 2/20 0.34
CCNA2 P20248 1/20 0.33
CCND3 P30281 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
PRPS1 P60891 1/20 0.31
ACACB O00763 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL21391081 0.81 PDE2A (0.41) CDK4CDK2CDK6CDK1CDK7
SCHEMBL21390939 0.78 PDE2A (0.41) CDK4CDK2CDK6CDK1CDK7
SCHEMBL10002805 0.74 EGFR (0.35) PRPS1ACACB
SCHEMBL30038519 0.73 CDK6 (0.43) CDK4CDK2CDK6CDK1CDK5
SCHEMBL18191711 0.73 CDK6 (0.43) CDK4CDK2CDK6CDK1CDK5
SCHEMBL18791651 0.73 ACACB (0.35) ACACB
SCHEMBL18779250 0.73 KCNQ2 (0.35) ACACB
SCHEMBL21539307 0.72 ACACB (0.39) CDK4CDK2CDK6CCND3PRPS1
SCHEMBL31257710 0.72 CCNE1 (0.35) CDK4CDK2CDK6CDK9CCND3
SCHEMBL18202603 0.71 CDK4 (0.37) CDK4CDK2CDK6CDK1CDK7

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed