SCHEMBL20193155

SCHEMBL20193155

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 6/20 0.38
KIT P10721 2/20 0.33
FEN1 P39748 1/20 0.32
GSK3B P49841 2/20 0.32
NFATC1 O95644 1/20 0.32
DYRK1A Q13627 1/20 0.32
KDR P35968 1/20 0.31
AURKB Q96GD4 1/20 0.31
MET P08581 2/20 0.31
RPS6KA5 O75582 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
FYN P06241 1/20 0.31
LYN P07948 1/20 0.31
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
FER P16591 1/20 0.31
AXL P30530 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
SCHEMBL20193217 0.90 DYRK1A (0.40) CHUKFEN1GSK3BNFATC1DYRK1A
SCHEMBL19114543 0.90 CHUK (0.35) CHUK
SCHEMBL20193179 0.89 CREBBP (0.32) CHUKFEN1GSK3BAURKBMET
SCHEMBL20193180 0.89 CHUK (0.43) CHUKFEN1
SCHEMBL20193214 0.89 CHUK (0.41) CHUKFEN1GSK3BNFATC1DYRK1A
SCHEMBL20193161 0.88 CHUK (0.42) CHUKKITFEN1KDRAURKB
SCHEMBL19114436 0.87 CHUK (0.38) CHUKDYRK1A
SCHEMBL18013729 0.87 DGAT1 (0.40) CHUKKITFEN1GSK3BNFATC1
SCHEMBL20193244 0.87 PIK3CD (0.33) CHUKFEN1
SCHEMBL19629511 0.86 DYRK1A (0.39) CHUKKITFEN1GSK3BNFATC1

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