SCHEMBL4779928

SCHEMBL4779928

Cc1ccc(C(O)CNc2ccnc(Nc3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.52
CDK2 P24941 3/20 0.52
MAPT P10636 2/20 0.52
CHEK1 O14757 1/20 0.52
IKBKB O14920 1/20 0.52
NPC1 O15118 1/20 0.52
PDPK1 O15530 1/20 0.52
CHEK2 O96017 1/20 0.52
PRKCG P05129 1/20 0.52
CDK1 P06493 1/20 0.52
LYN P07948 1/20 0.52
KIT P10721 1/20 0.52
PIM1 P11309 1/20 0.52
FGFR1 P11362 1/20 0.52
FGFR3 P22607 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MARK3 P27448 1/20 0.52
MAPK1 P28482 1/20 0.52
EPHA2 P29317 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL4730814 0.94 CDK2 (0.52) AURKACDK2MAPTCHEK1IKBKB
SCHEMBL14292759 0.91 AURKA (0.59) AURKACDK2MAPTCHEK1IKBKB
SCHEMBL14293021 0.90 AURKA (0.51) AURKACDK2CHEK1NPC1PDPK1
SCHEMBL4726143 0.87 AURKA (0.56) AURKACDK2MAPTCHEK1IKBKB
SCHEMBL4725761 0.87 AURKA (0.51) AURKACDK2MAPTCHEK1IKBKB
SCHEMBL4797882 0.87 CDK4 (0.51) CDK2MAPTNPC1CDK1MAPK1
SCHEMBL14292623 0.86 MAPT (0.62) CDK2MAPTNPC1MAPK1RAB9A
SCHEMBL14292444 0.86 HTT (0.46) AURKACDK2CDK1FAAHCYP2D6
SCHEMBL14293051 0.85 MAPK8 (0.47) AURKACDK2MAPTNPC1MAPK1
SCHEMBL14292066 0.85 AURKA (0.55) AURKACDK2MAPTCHEK1IKBKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed