SCHEMBL22930948

SCHEMBL22930948

CCc1cnn(-c2ccnc3[nH]ccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.65
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
GRM4 Q14833 1/20 0.44
CCNK O75909 6/20 0.44
CDK12 Q9NYV4 6/20 0.44
NUDT1 P36639 5/20 0.42
AKT2 P31751 3/20 0.42
AXL P30530 1/20 0.40
PBK Q96KB5 1/20 0.39

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
SCHEMBL3453092 0.88 PRKCI (0.67) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL13774670 0.82 PRKCI (0.70) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL99352 0.79 PRKCI (1.00) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL98790 0.78 NUDT1 (0.58) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL27741956 0.78 PRKCI (0.65) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL102287 0.77 PRKCI (0.53) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL29541478 0.77 PRKCI (0.53) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL29541092 0.76 PRKCI (0.65) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL101483 0.76 PRKCI (0.65) PRKCIAURKAAURKBINCENPTPX2
SCHEMBL18167340 0.75 PRKCI (0.61) PRKCIAURKAAURKBINCENPTPX2

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-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed