SCHEMBL21391080

SCHEMBL21391080

CC(C)(CC(=O)CCCc1nc2c(F)cc(C3(O)CCC3)cc2n1C1CCC1)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31

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
SCHEMBL21390933 0.92 CDK4 (0.32) CDK4CCND1CCND3CDK6
SCHEMBL21391027 0.90 CDK4 (0.32) CDK4CCND1CCND3CDK6
SCHEMBL21354684 0.80 EGFR (0.32)
SCHEMBL21390691 0.76
SCHEMBL21390826 0.76 CACNA1H (0.35) CDK4CCND1CCND3CDK6
SCHEMBL21390822 0.75 CYP19A1 (0.33) CDK4CCND1CCND3CDK6
SCHEMBL23132029 0.75 HDAC1 (0.33) CDK4CCND1CCND3CDK6
SCHEMBL21391118 0.75 CACNA1G (0.35)
SCHEMBL21391103 0.74 HDAC1 (0.33) CDK4CCND1CCND3CDK6
SCHEMBL21354572 0.74 IDH1 (0.32) CDK4CCND1CCND3CDK6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055538-A1 METHODS OF USE FOR KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2021-03-25 WO disclosed
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed