SCHEMBL2979413

SCHEMBL2979413

COCc1cccc(-c2nnc(Nc3ccc(Oc4ccnc5cc(OC)cnc45)cc3)c3ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.41
YES1 P07947 1/20 0.40
FGFR2 P21802 3/20 0.39
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.38
TPX2 Q9ULW0 2/20 0.38
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDR P35968 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ENPP3 O14638 1/20 0.37
ULK1 O75385 1/20 0.37
RPS6KA5 O75582 1/20 0.37

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
SCHEMBL15663546 0.92 MAPT (0.41) MAPTLMNAYES1FGFR2AURKA
SCHEMBL15663582 0.91 MAPT (0.41) MAPTLMNAYES1FGFR2TP53
SCHEMBL2965225 0.89 MAPT (0.41) MAPTLMNAYES1FGFR2AURKA
SCHEMBL2970704 0.89 MAPT (0.41) MAPTLMNAYES1FGFR2AURKA
SCHEMBL2209959 0.84 MAPT (0.43) MAPTLMNAYES1FGFR2AURKA
SCHEMBL2209836 0.83 MAPT (0.58) MAPTLMNAFGFR2AURKAAURKB
SCHEMBL2204168 0.83 MAPT (0.53) MAPTLMNAYES1FGFR2AURKA
SCHEMBL15663432 0.83 MAPT (0.42) MAPTLMNAYES1FGFR2AURKA
SCHEMBL2965227 0.83 CA9 (0.55) MAPTLMNAYES1FGFR2AURKA
SCHEMBL2208527 0.82 KDR (0.42) MAPTLMNAYES1FGFR2AURKA

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