SCHEMBL20193253

SCHEMBL20193253

CS(C)(C)CCOCn1cc(-c2cn(C3CCNCC3)c3cnc(Br)cc23)cn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
FLT3 P36888 1/20 0.32
CHUK O15111 1/20 0.31
MAP4K3 Q8IVH8 2/20 0.31
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
KDM1A O60341 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
SCHEMBL20193254 0.90 AXL (0.32) AXLTYRO3MERTKCHUK
SCHEMBL20193216 0.90 CHUK (0.40) AXLTYRO3MERTKCHUK
SCHEMBL16608283 0.89 DGAT1 (0.33) AXLTYRO3MERTKFLT3CHUK
SCHEMBL20193156 0.87 GSK3B (0.33) AXLTYRO3MERTKCHUK
SCHEMBL20193228 0.85 MTOR (0.33) AXLTYRO3MERTKFLT3CHUK
SCHEMBL20193157 0.85
SCHEMBL20193218 0.84 GPR119 (0.37) CHUKMAP3K7TAB1PIK3CAMTOR
SCHEMBL20193213 0.82 GPR119 (0.36) CHUKPIK3CA
SCHEMBL20193179 0.81 CREBBP (0.32) TYRO3FLT3CHUK
SCHEMBL19114444 0.81 CHUK (0.33) AXLTYRO3MERTKFLT3CHUK

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