SCHEMBL23770740

SCHEMBL23770740

Cc1ccc(C#N)cc1-c1nc(NSc2cccc(N)n2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.33
AR P10275 2/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
ABL1 P00519 1/20 0.32
MAP4K1 Q92918 2/20 0.31
LRRK2 Q5S007 1/20 0.30
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL23770611 0.93 EGLN2 (0.36) HSD11B1ARCDC7CDK2MAP4K1
SCHEMBL23770652 0.85 HSD11B1 (0.32) HSD11B1ARCDC7CDK2
SCHEMBL23770558 0.85 AGPAT2 (0.40) ABL1
SCHEMBL23770590 0.84 ADORA2A (0.35)
SCHEMBL23770707 0.82 AGPAT2 (0.39) ABL1
SCHEMBL23770528 0.82 ADORA2A (0.35) LRRK2
SCHEMBL23770430 0.81 ABL1 (0.33) ARCDC7CDK2ABL1MAP4K1
SCHEMBL23770555 0.80 ADORA2A (0.32)
SCHEMBL23770602 0.79 NOS3 (0.33)
SCHEMBL19925179 0.79 HSD11B1 (0.46) HSD11B1ABL1

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed