SCHEMBL21391030

SCHEMBL21391030

Cc1nc2c(F)cc(C#N)cc2n1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.40
CDK6 Q00534 14/20 0.40
CCND3 P30281 2/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 13/20 0.37
CDK1 P06493 8/20 0.37
CDK7 P50613 8/20 0.37
CDK9 P50750 8/20 0.37
CDK5 Q00535 8/20 0.37
PDE10A Q9Y233 2/20 0.33
GRM5 P41594 2/20 0.33
PDE2A O00408 1/20 0.33
CCNA2 P20248 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL31434392 0.77 CDK4 (0.39) CDK4CDK6CCND3CCND1CDK2
SCHEMBL28477463 0.77 CDK4 (0.39) CDK4CDK6CCND3CCND1CDK2
SCHEMBL21354647 0.73 KCNQ3 (0.35)
SCHEMBL21391181 0.72 KHK (0.36) CDK4CDK6CCND3CCND1
SCHEMBL27254418 0.72 JAK2 (0.33)
SCHEMBL21354733 0.71 JAK2 (0.33) EGLN2
SCHEMBL21390936 0.71
SCHEMBL21354738 0.70 TYK2 (0.34) EGLN2
SCHEMBL410438 0.63 TTR (0.41) GRM5EGLN2
SCHEMBL25189727 0.63 KDM1A (0.34) GRM5EGLN2

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