SCHEMBL2965227

SCHEMBL2965227

COc1cccc(-c2nnc(Nc3ccc(Oc4ccnc5cc(OC)cnc45)cc3)c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 5/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.46
FGFR2 P21802 3/20 0.46
MEN1 O00255 1/20 0.44
KDR P35968 1/20 0.44
KMT2A Q03164 1/20 0.44
ENPP3 O14638 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL2204168 0.94 MAPT (0.53) CA9MAPTLMNATP53FGFR2
SCHEMBL2981073 0.93 CA9 (0.47) CA9CA1CA2MAPTLMNA
SCHEMBL2981577 0.92 CA9 (0.47) CA9CA1CA2MAPTLMNA
SCHEMBL2209836 0.92 MAPT (0.58) CA9CA2MAPTLMNATP53
SCHEMBL15663548 0.91 MAPT (0.48) CA9CA1CA2MAPTLMNA
SCHEMBL2978907 0.91 CA9 (0.45) CA9CA1CA2MAPTLMNA
SCHEMBL15663727 0.90 MAPT (0.48) CA9MAPTLMNATP53FGFR2
SCHEMBL2210282 0.90 CA9 (0.45) CA9CA1CA2MAPTLMNA
SCHEMBL15664092 0.90 MAPT (0.51) CA9MAPTLMNATP53FGFR2
SCHEMBL15663536 0.90 MAPT (0.53) CA9CA2MAPTLMNATP53

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
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US claimed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed