SCHEMBL20193228

SCHEMBL20193228

CS(C)(C)CCOCn1cc(-c2cn(C3CCN(CC(F)(F)F)CC3)c3cnc(Br)cc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
CHUK O15111 1/20 0.32
AXL P30530 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
FLT3 P36888 1/20 0.32
JAK1 P23458 2/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
PIK3CD O00329 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
SCHEMBL19114444 0.96 CHUK (0.33) MTORGPR119CHUKAXLTYRO3
SCHEMBL20193156 0.91 GSK3B (0.33) GPR119CHUKAXLTYRO3MERTK
SCHEMBL16608578 0.90 DGAT1 (0.35) MTORFGFR1FGFR2FGFR3CHUK
SCHEMBL20193216 0.89 CHUK (0.40) CHUKAXLTYRO3MERTK
SCHEMBL19114373 0.85 CHUK (0.51) CHUK
SCHEMBL20193253 0.85 AXL (0.32) MTORCHUKAXLTYRO3MERTK
SCHEMBL20193244 0.84 PIK3CD (0.33) MTORCHUKPIK3CDPIK3CBPIK3CG
SCHEMBL20193254 0.84 AXL (0.32) CHUKAXLTYRO3MERTK
SCHEMBL20193218 0.83 GPR119 (0.37) MTORGPR119CHUKJAK1
SCHEMBL16608288 0.80 DGAT1 (0.35) CHUKAXLTYRO3MERTK

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
US-9981963-B2 3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridine derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed