SCHEMBL21395029

SCHEMBL21395029

Cc1cc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)cnc1C#N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
DEGS1 O15121 1/20 0.39

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
SCHEMBL21394694 0.94 GCK (0.42) GCKKDM4EDEGS1
SCHEMBL21394731 0.90 CYP3A4 (0.42) GCKCYP3A4SIRT2
SCHEMBL21395179 0.88 GCK (0.42) GCKKDM4ECYP3A4SIRT2DEGS1
SCHEMBL21394952 0.83 KCNQ3 (0.44) GCKCYP3A4SIRT2DEGS1
SCHEMBL21394698 0.83 GCK (0.41) GCKKDM4ECYP3A4SIRT2DEGS1
SCHEMBL21394726 0.82 RAB9A (0.42) GCKCYP3A4SIRT2
SCHEMBL21395131 0.82 CYP3A4 (0.43) CYP3A4SIRT2DEGS1
SCHEMBL21395023 0.82 DEGS1 (0.40) CYP3A4SIRT2DEGS1
SCHEMBL21394938 0.80 TMPRSS4 (0.47) SIRT2
SCHEMBL29358537 0.80 GCK (0.41) GCKKDM4ECYP3A4DEGS1

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