SCHEMBL14538420

SCHEMBL14538420

CCCNc1nc(CCNC(=O)OCc2ccccc2)cn2c(-c3cnn(C)c3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.45
▸ BRD4 O60885 3/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL14507591 0.88 ANPEP (0.41) TTKMAPK1AURKBNTRK1YES1
SCHEMBL14536776 0.87 MERTK (0.41) TTKMAPK1AURKBNTRK1YES1
SCHEMBL8241305 0.85 TTK (0.42) TTKMAPK1AURKBNTRK1YES1
SCHEMBL8246875 0.85 TTK (0.43) TTKMAPK1AURKBNTRK1YES1
SCHEMBL14508090 0.84 TTK (0.40) TTKAURKBFGFR1FGFR3
SCHEMBL14507631 0.82 TTK (0.39) TTKAURKB
SCHEMBL14507582 0.82 AURKB (0.43) AURKB
SCHEMBL14507603 0.82 AURKB (0.39) TTKMAPK1AURKBNTRK1YES1
SCHEMBL14536767 0.82 TTK (0.40) TTKAURKBFGFR1FGFR3
SCHEMBL14536800 0.82 AURKB (0.39) TTKAURKBFGFR1FGFR3

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
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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