SCHEMBL23770463

SCHEMBL23770463

Cc1ccc(F)cc1-c1nc(NSc2cccc(N3CCCC(C)(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.34
ABL1 P00519 2/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
RBP4 P02753 1/20 0.30
TTR P02766 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SCN9A Q15858 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
SCHEMBL19970086 0.92 DGAT1 (0.37) BTKEIF2AK4DGAT1KCNH2RBP4
SCHEMBL23770459 0.88 BTK (0.34) BTKEIF2AK4HCRTR1HCRTR2
SCHEMBL19970089 0.88 BTK (0.36) BTKEIF2AK4DGAT1KCNH2RBP4
SCHEMBL23770832 0.86 RBP4 (0.33) BTKRBP4TTR
SCHEMBL23770875 0.86 BTK (0.34) BTKEIF2AK4DGAT1KCNH2BRAF
SCHEMBL19970083 0.86 BTK (0.34) BTKEIF2AK4DGAT1KCNH2BRAF
SCHEMBL19970137 0.85 BTK (0.34) BTKEIF2AK4
SCHEMBL19970208 0.85 BTK (0.34) BTKEIF2AK4
SCHEMBL23770452 0.85 PDE10A (0.34) ABL1TP53MAPTSMN1; SMN2
SCHEMBL19927804 0.85 BTK (0.33) BTKABL1EIF2AK4DGAT1KCNH2

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