SCHEMBL23770699

SCHEMBL23770699

Cc1c(F)cccc1-c1nc(NSc2ccnc(N3CCOCC3C)c2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.45
ATRIP Q8WXE1 14/20 0.45
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL23770615 0.86 ATR (0.43) ATRATRIP
SCHEMBL19951339 0.84 ATR (0.42) ATRATRIPMTORPDCD1CD274
SCHEMBL29464360 0.84 ATR (0.42) ATRATRIPMTORPDCD1CD274
SCHEMBL19951337 0.84 ATR (0.42) ATRATRIPMTORPDCD1CD274
SCHEMBL23770570 0.80 KRAS (0.33)
SCHEMBL23770701 0.76 ATR (0.42) ATRATRIPPIK3CAMTORPDCD1
SCHEMBL19951347 0.70 PIK3C3 (0.42) ATRATRIPMTORPDCD1CD274
SCHEMBL19951349 0.70 PIK3C3 (0.42) ATRATRIPMTORPDCD1CD274
SCHEMBL29464382 0.70 PIK3C3 (0.42) ATRATRIPMTORPDCD1CD274
SCHEMBL23770850 0.67 LRRK2 (0.33)

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