SCHEMBL21085376

SCHEMBL21085376

CCC(C)(C)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.63
AURKA O14965 2/20 0.63
INCENP Q9NQS7 2/20 0.63
TPX2 Q9ULW0 2/20 0.63
GRM4 Q14833 1/20 0.55
CCNK O75909 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
JAK2 O60674 8/20 0.48
JAK1 P23458 6/20 0.48
JAK3 P52333 4/20 0.48
TYK2 P29597 1/20 0.48
NUDT1 P36639 2/20 0.48
IKBKB O14920 2/20 0.48
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48

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
SCHEMBL99868 0.87 AURKB (0.59) AURKBAURKAINCENPTPX2GRM4
SCHEMBL28107488 0.85 AURKB (0.57) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29540487 0.85 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL101177 0.85 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL18602404 0.85 AURKB (0.57) AURKBAURKAINCENPTPX2GRM4
SCHEMBL15389485 0.84 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99736 0.84 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL18599173 0.84 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99992 0.83 AURKA (0.52) AURKBAURKAINCENPTPX2GRM4
SCHEMBL13541161 0.83 AURKB (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3492468-B1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF SUZHOU LONGBIOTECH PHARMACEUTICALS CO LTD (CN) 2022-02-23 EP disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
EP-3492468-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP disclosed