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SCHEMBL21394952

SCHEMBL21394952

N#Cc1cc(F)cc(Cc2ccc(NC(=O)c3ccc(C#N)nc3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ DEGS1 O15121 1/20 0.43
▸ GCK P35557 2/20 0.42
▸ CXCR2 P25025 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ SIRT2 Q8IXJ6 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
SCHEMBL21394396 0.94 KCNQ3 (0.47) KCNQ3KCNQ2DEGS1GCKCXCR2
SCHEMBL21395179 0.87 GCK (0.42) DEGS1GCKCYP3A4SIRT2
SCHEMBL21395023 0.86 DEGS1 (0.40) DEGS1CYP3A4SIRT2
SCHEMBL21395016 0.86 CHEK1 (0.40) CYP3A4SIRT2
SCHEMBL21394997 0.85 KCNQ3 (0.57) KCNQ3KCNQ2DEGS1GCKCXCR2
SCHEMBL21395029 0.83 GCK (0.40) DEGS1GCKCYP3A4SIRT2
SCHEMBL21394731 0.83 CYP3A4 (0.42) GCKCYP3A4SIRT2
SCHEMBL21394938 0.82 TMPRSS4 (0.47) SIRT2
SCHEMBL21395131 0.82 CYP3A4 (0.43) DEGS1CYP3A4SIRT2
SCHEMBL21395132 0.82 KCNQ3 (0.52) KCNQ3KCNQ2GCKCXCR2CYP3A4

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