SCHEMBL2879628

SCHEMBL2879628

COc1cc(Oc2cnn(C)c2)c(-c2cccc3[nH]ncc23)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
METAP2 P50579 3/20 0.47
BRAF P15056 4/20 0.43
PIK3CA P42336 3/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
ABL1 P00519 1/20 0.40
FLT3 P36888 1/20 0.40
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
TRPA1 O75762 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ACVR1 Q04771 1/20 0.36
RAF1 P04049 3/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL2880810 0.88 METAP2 (0.47) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL3435046 0.83 BRD4 (0.56) BRD4METAP2BRAFPIK3CAABL1
SCHEMBL28924973 0.81 PIK3CA (0.56) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL15876525 0.76 METAP2 (0.44) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL3435497 0.76 METAP2 (0.46) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL3435032 0.75 PIK3CA (0.42) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL3433766 0.75 METAP2 (0.51) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL3432778 0.74 METAP2 (0.45) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL28635804 0.72 BRAF (0.51) BRD4METAP2BRAFPIK3CAPIK3CD
SCHEMBL560480 0.69 PIK3CA (0.71) BRD4BRAFPIK3CAPIK3CDPIK3CB

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed