SCHEMBL20193156

SCHEMBL20193156

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.33
DYRK1A Q13627 5/20 0.33
WNT1 P04628 3/20 0.33
CHUK O15111 1/20 0.33
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TYK2 P29597 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
SCHEMBL20193216 0.92 CHUK (0.40) CHUKAXLTYRO3MERTK
SCHEMBL20193228 0.91 MTOR (0.33) CHUKAXLTYRO3MERTKGPR119
SCHEMBL16608288 0.89 DGAT1 (0.35) GSK3BDYRK1AWNT1CHUKAXL
SCHEMBL20193253 0.87 AXL (0.32) CHUKAXLTYRO3MERTK
SCHEMBL19114444 0.87 CHUK (0.33) CHUKAXLTYRO3MERTKGPR119
SCHEMBL20193254 0.85 AXL (0.32) CHUKAXLTYRO3MERTK
SCHEMBL20193218 0.84 GPR119 (0.37) CHUKGPR119
SCHEMBL20193160 0.84 CHUK (0.54) CHUK
SCHEMBL16608483 0.81 CHUK (0.40) CHUKAXLTYRO3MERTK
SCHEMBL20193179 0.81 CREBBP (0.32) GSK3BCHUKTYRO3

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