SCHEMBL21391181

SCHEMBL21391181

Cc1c(C#N)cc(F)c2nc(C)n(C(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.36
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL21391030 0.72 CDK4 (0.40) CDK4CCND1CCND3CDK6
SCHEMBL23731147 0.63 KHK (0.35) KHKTRPV4CYP11B1CYP11B2
SCHEMBL19009014 0.63 TRPV4 (0.45) KHKTRPV4CYP11B1CYP11B2
SCHEMBL30493379 0.61 TRPV4 (0.43) KHKTRPV4CYP11B1CYP11B2
SCHEMBL25436881 0.61 TRPV4 (0.43) KHKTRPV4CYP11B1CYP11B2
SCHEMBL12775444 0.61 KHK (0.39) KHKTRPV4CYP11B1CYP11B2
SCHEMBL12143428 0.60 KHK (0.44) KHKTRPV4CYP11B1CYP11B2
SCHEMBL19803240 0.60 TRPV4 (0.34) TRPV4CYP11B1CYP11B2
SCHEMBL31214295 0.60 KHK (0.62) KHKTRPV4CYP11B1CYP11B2
SCHEMBL13483842 0.59 TRPV4 (0.50) KHKTRPV4CYP11B1CYP11B2

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