SCHEMBL21391183

SCHEMBL21391183

COc1cc(F)c2nc(C)n(C3CCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 4/20 0.46
MAPK1 P28482 1/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK1 Q13464 1/20 0.41
PDE2A O00408 6/20 0.40
PDE10A Q9Y233 6/20 0.40
CDK4 P11802 2/20 0.40
CDK2 P24941 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
SCHEMBL18202584 0.81 CCNT1 (0.47) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL21390699 0.80 HRH3 (0.42) CYP11B2CCNT1CDK9PDE10ACDK4
SCHEMBL15252331 0.78 CDK9 (0.50) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL30039369 0.74 CCNT1 (0.42) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL15252582 0.74 CCNT1 (0.42) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL21354610 0.74 CACNA1H (0.40) MAPK1ALDH1A1
SCHEMBL21017336 0.73 CCNT1 (0.44) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL18202581 0.73 CCNT1 (0.40) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL19836553 0.72 CYP11B2 (0.43) CYP11B2CYP11B1MAPK1CCNT1CDK9
SCHEMBL21391081 0.72 PDE2A (0.41) CDK9PDE2APDE10ACDK4CDK2

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