SCHEMBL23770570

SCHEMBL23770570

Cc1c(F)cccc1-c1nc(NSc2ccnc(N3CC(O)C3)c2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.33
TYK2 P29597 1/20 0.33
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
LRRK2 Q5S007 7/20 0.32
SMO Q99835 1/20 0.31
ABL1 P00519 2/20 0.31
SCN9A Q15858 2/20 0.31
PROKR1 Q8TCW9 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
SCHEMBL23770677 0.85 ABL1 (0.36) CCNT1CDK9SMOABL1
SCHEMBL23770850 0.85 LRRK2 (0.33) LRRK2ABL1
SCHEMBL19951388 0.82 GHSR (0.39) KRASLRRK2ABL1SCN9A
SCHEMBL23770699 0.80 ATR (0.45)
SCHEMBL23770798 0.76 ITGB2 (0.38) LRRK2
SCHEMBL19925066 0.74 GHSR (0.39) LRRK2ABL1
SCHEMBL23770583 0.73 RAF1 (0.36) HCRTR1HCRTR2LRRK2ABL1
SCHEMBL23770836 0.73 MPL (0.33) HCRTR1HCRTR2LRRK2
SCHEMBL23770741 0.73 ABL1 (0.35) CCNT1CDK9LRRK2SMOABL1
SCHEMBL23770724 0.71 MAP4K1 (0.34) TYK2CCNT1CDK9SCN9A

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