SCHEMBL23770436

SCHEMBL23770436

Cc1ccccc1-c1nc(NSc2cccc(N3CCCC(N)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
PIM2 Q9P1W9 7/20 0.38
PIM1 P11309 7/20 0.38
PIM3 Q86V86 4/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
SYK P43405 1/20 0.37
CAMK1D Q8IU85 1/20 0.36
PRKCQ Q04759 2/20 0.36
IDH2 P48735 1/20 0.36
PRKCA P17252 1/20 0.36
GSK3B P49841 1/20 0.36
KIF18A Q8NI77 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL23770725 0.90 CYP1A2 (0.37) PIM2PIM1PIM3IRAK4PRKCQ
SCHEMBL23770433 0.89 PDE10A (0.36)
SCHEMBL23770664 0.88 NPY5R (0.36)
SCHEMBL23770658 0.88 CTSS (0.31) PTPN11
SCHEMBL23770488 0.87 ITGB2 (0.40) SYKIDH2
SCHEMBL23770779 0.86 HRH3 (0.36) IRAK4
SCHEMBL23770673 0.86 HRH4 (0.35)
SCHEMBL23770840 0.85 KDM4E (0.35) SYK
SCHEMBL23770753 0.84 GRIN2B (0.36) PRKCQPRKCA
SCHEMBL23770859 0.83 CYP1A2 (0.44)

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