SCHEMBL21394731

SCHEMBL21394731

Cc1cc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)cnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
GCK P35557 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
SCHEMBL21394643 0.90 KDM4E (0.44) GCK
SCHEMBL21395029 0.90 GCK (0.40) CYP3A4SIRT2GCK
SCHEMBL21395179 0.88 GCK (0.42) CYP3A4SIRT2GCK
SCHEMBL21394694 0.84 GCK (0.42) GCK
SCHEMBL21394952 0.83 KCNQ3 (0.44) CYP3A4SIRT2GCK
SCHEMBL21394938 0.81 TMPRSS4 (0.47) SIRT2
SCHEMBL21395131 0.81 CYP3A4 (0.43) CYP3A4SIRT2
SCHEMBL21395002 0.81 TMPRSS4 (0.41) CYP3A4SIRT2
SCHEMBL21395023 0.81 DEGS1 (0.40) CYP3A4SIRT2
SCHEMBL29356981 0.80 GPR6 (0.41)

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed