SCHEMBL23770677

SCHEMBL23770677

Cc1ccc(F)cc1-c1nc(NSc2ccnc(N3CC(O)C3)c2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.36
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL23770583 0.88 RAF1 (0.36) ABL1RAF1BRAF
SCHEMBL23770587 0.86 ABL1 (0.39) ABL1CCNT1CDK9
SCHEMBL23770570 0.85 KRAS (0.33) ABL1CCNT1CDK9SMO
SCHEMBL23770741 0.84 ABL1 (0.35) ABL1RAF1BRAFCCNT1CDK9
SCHEMBL19951398 0.82 ABL1 (0.37) ABL1SMO
SCHEMBL23770776 0.81 ABL1 (0.38) ABL1CCNT1CDK9
SCHEMBL23770615 0.80 ATR (0.43) RAF1BRAF
SCHEMBL23770447 0.75 SOS1 (0.34) ABL1RAF1BRAF
SCHEMBL19925201 0.74 GHSR (0.38) ABL1RAF1BRAFSMO
SCHEMBL29464868 0.74 GHSR (0.38) ABL1RAF1BRAFSMO

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