SCHEMBL23770607

SCHEMBL23770607

Cc1ccc(C#N)cc1-c1nc(NSc2ccnc(N3CC(C)C3)c2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
FASN P49327 9/20 0.34
LRRK2 Q5S007 1/20 0.34
AR P10275 1/20 0.32
CDK2 P24941 2/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
MAP3K12 Q12852 2/20 0.31
ABL1 P00519 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 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
SCHEMBL23770544 0.84 S1PR1 (0.33) FASNCDK2ABL1
SCHEMBL23770583 0.81 RAF1 (0.36) LRRK2ABL1
SCHEMBL23770596 0.77 ADRB1 (0.41) CDK2CCNA2CCNA1ABL1
SCHEMBL23770447 0.75 SOS1 (0.34) ABL1
SCHEMBL23770798 0.75 ITGB2 (0.38) LRRK2
SCHEMBL23770684 0.74 ADRB2 (0.36) JAK2JAK3
SCHEMBL23770701 0.74 ATR (0.42)
SCHEMBL23770652 0.72 HSD11B1 (0.32) ARCDK2
SCHEMBL19951400 0.71 SCN9A (0.38) FASNMAP3K12
SCHEMBL23770773 0.71 ABL1 (0.37) 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