SCHEMBL16673732

SCHEMBL16673732

c1ccc(CCCn2cc(-c3ccnc4[nH]ccc34)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.60
AURKB Q96GD4 5/20 0.58
AURKA O14965 4/20 0.58
INCENP Q9NQS7 2/20 0.58
TPX2 Q9ULW0 2/20 0.58
JAK2 O60674 5/20 0.53
ALK Q9UM73 2/20 0.53
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
DAPK3 O43293 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CSF1R P07333 1/20 0.53
RET P07949 1/20 0.53
IGF1R P08069 1/20 0.53
FGFR1 P11362 1/20 0.53
PRKACA P17612 1/20 0.53
FLT1 P17948 1/20 0.53
LTK P29376 1/20 0.53

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
SCHEMBL99234 0.86 GRM4 (0.65) GRM4AURKBAURKAINCENPTPX2
SCHEMBL30009527 0.86 GRM4 (0.65) GRM4AURKBAURKAINCENPTPX2
SCHEMBL100071 0.84 AURKB (0.63) GRM4AURKBAURKAINCENPTPX2
SCHEMBL19062146 0.83 AURKB (0.62) GRM4AURKBAURKAINCENPTPX2
SCHEMBL14052556 0.83 AURKB (0.65) GRM4AURKBAURKAINCENPTPX2
SCHEMBL23543160 0.81 AURKB (0.66) GRM4AURKBAURKAINCENPTPX2
SCHEMBL20879725 0.81 AURKB (0.70) GRM4AURKBAURKAINCENPTPX2
SCHEMBL100283 0.81 AURKB (0.59) GRM4AURKBAURKAINCENPTPX2
SCHEMBL100459 0.80 GRM4 (0.56) GRM4AURKBAURKAINCENPTPX2
SCHEMBL100460 0.80 GRM4 (0.56) GRM4AURKBAURKAINCENPTPX2

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-2348023-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP claimed