SCHEMBL2979377

SCHEMBL2979377

COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc(C)nc5F)c5ccccc45)cc3)ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.40
AURKB Q96GD4 3/20 0.40
TPX2 Q9ULW0 2/20 0.40
MAPT P10636 5/20 0.40
FGFR2 P21802 3/20 0.40
LMNA P02545 1/20 0.40
KDR P35968 3/20 0.39
TP53 P04637 1/20 0.39
ULK1 O75385 1/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
FES P07332 1/20 0.39
RET P07949 1/20 0.39
BCR P11274 1/20 0.39
BRAF P15056 1/20 0.39
NQO2 P16083 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPKAPK2 P49137 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
SCHEMBL15663416 0.90 AURKA (0.45) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL2970704 0.86 MAPT (0.41) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL15664005 0.85 FGFR2 (0.43) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL15663362 0.85 MAPT (0.48) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL15663507 0.85 MAPT (0.41) MAPTFGFR2LMNAKDRTP53
SCHEMBL2210397 0.84 MAPT (0.52) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL15663575 0.84 FGFR2 (0.43) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL15663394 0.84 MAPT (0.47) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL15663727 0.84 MAPT (0.48) AURKAAURKBTPX2MAPTFGFR2
SCHEMBL2204168 0.84 MAPT (0.53) AURKAAURKBTPX2MAPTFGFR2

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