SCHEMBL23770583

SCHEMBL23770583

Cc1ccc(F)cc1-c1nc(NSc2ccnc(N3CC(O)C3)c2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.36
BRAF P15056 10/20 0.36
ITGB2 P05107 4/20 0.34
ICAM1 P05362 4/20 0.34
ITGAL P20701 4/20 0.34
ABL1 P00519 1/20 0.33
SOS1 Q07889 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CLK2 P49760 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MPL P40238 1/20 0.31

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
SCHEMBL23770677 0.88 ABL1 (0.36) RAF1BRAFABL1
SCHEMBL23770447 0.87 SOS1 (0.34) RAF1BRAFABL1SOS1
SCHEMBL23770596 0.86 ADRB1 (0.41) RAF1BRAFABL1SOS1
SCHEMBL23770798 0.86 ITGB2 (0.38) ITGB2ICAM1ITGALSOS1CLK2
SCHEMBL19951397 0.82 RAF1 (0.37) RAF1BRAFABL1
SCHEMBL23770773 0.82 ABL1 (0.37) ABL1
SCHEMBL23770607 0.81 JAK2 (0.35) ABL1LRRK2
SCHEMBL23770701 0.80 ATR (0.42) RAF1BRAF
SCHEMBL23770431 0.75 GHSR (0.36)
SCHEMBL23770744 0.75 RAF1 (0.33) RAF1BRAFABL1SOS1HCRTR1

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