SCHEMBL20879725

SCHEMBL20879725

CCCn1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.70
AURKA O14965 2/20 0.70
INCENP Q9NQS7 2/20 0.70
TPX2 Q9ULW0 2/20 0.70
GRM4 Q14833 1/20 0.57
CCNK O75909 2/20 0.52
CDK12 Q9NYV4 2/20 0.52
JAK2 O60674 6/20 0.50
JAK1 P23458 5/20 0.50
JAK3 P52333 4/20 0.50
NUDT1 P36639 2/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50

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
SCHEMBL14052556 0.91 AURKB (0.65) AURKBAURKAINCENPTPX2GRM4
SCHEMBL23543160 0.87 AURKB (0.66) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100071 0.85 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29540838 0.84 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
SCHEMBL98999 0.84 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
SCHEMBL98998 0.84 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
SCHEMBL28338366 0.84 AURKB (0.65) AURKBAURKAINCENPTPX2GRM4
SCHEMBL19062146 0.84 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99373 0.84 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
SCHEMBL30009412 0.84 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4

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-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed