SCHEMBL23770544

SCHEMBL23770544

Cc1ccc(C#N)cc1-c1nc(NSc2ccnc(N)c2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAP3K14 Q99558 1/20 0.31
SYK P43405 1/20 0.31
FASN P49327 2/20 0.31
PTK2 Q05397 1/20 0.30
ABL1 P00519 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL23770773 0.87 ABL1 (0.37) S1PR1ABL1
SCHEMBL23770430 0.86 ABL1 (0.33) CDC7CDK2KCNH2MAP3K14ABL1
SCHEMBL23770607 0.84 JAK2 (0.35) CDK2FASNABL1
SCHEMBL23770652 0.82 HSD11B1 (0.32) PTGDR2CDC7CDK2
SCHEMBL23770543 0.80 S1PR1 (0.35) S1PR1SYK
SCHEMBL19927777 0.80 SCN9A (0.43)
SCHEMBL29464436 0.80 SCN9A (0.43)
SCHEMBL23770666 0.77 KRAS (0.39) PTGDR2FASNEGLN2
SCHEMBL23770732 0.76 NOS3 (0.38) S1PR1SYKABL1
SCHEMBL23770776 0.73 ABL1 (0.38) ABL1

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