SCHEMBL6919971

SCHEMBL6919971

Cc1ccc(Nc2nc(C(C)(C)C)nc(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.48
F11 P03951 3/20 0.48
F7 P08709 3/20 0.48
CYP2C9 P11712 1/20 0.48
F10 P00742 2/20 0.47
TP53 P04637 4/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GBA1 P04062 1/20 0.40
GAA P10253 5/20 0.39
MAPT P10636 5/20 0.39
KDR P35968 1/20 0.38
G6PD P11413 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
AMY1A P0DUB6 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AURKA O14965 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL1232626 0.90 F9 (0.48) F9F11F7CYP2C9F10
SCHEMBL9607754 0.90 F9 (0.41) F9F11F7CYP2C9F10
SCHEMBL9607621 0.90 F9 (0.64) F9F11F7CYP2C9F10
SCHEMBL9607622 0.89 F9 (0.65) F9F11F7CYP2C9F10
SCHEMBL6918626 0.72 HTR2A (0.46) F9F11F7CYP2C9F10
SCHEMBL1231149 0.69 F9 (0.65) F9F11F7F10TP53
SCHEMBL6918055 0.69 F9 (0.63) F9F11F7CYP2C9F10
SCHEMBL1231102 0.69 ABCG2 (0.57) F9TP53MEN1KMT2AGBA1
SCHEMBL9607759 0.69 MEN1 (0.52) F9F11F7CYP2C9F10
SCHEMBL9607763 0.69 MEN1 (0.52) F9F11F7CYP2C9F10

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-2011017296-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2011-02-10 WO disclosed