SCHEMBL14475779

SCHEMBL14475779

COc1ccc2nc(-c3cccnc3)nc(Nc3cc(C(F)(F)F)ccc3CI)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.54
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
ABCB1 P08183 3/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.46
ABCC1 P33527 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL14727307 0.87 ABCG2 (0.56) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL14727326 0.86 ABCG2 (0.57) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL14474010 0.83 ABCG2 (0.54) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL16183325 0.81 ABCG2 (0.58) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL14727305 0.81 ABCG2 (0.65) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL14475475 0.78 ABCG2 (0.52) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL2154960 0.78 ABCG2 (0.63) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL16183342 0.78 ABCG2 (0.63) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL14474543 0.78 ABCG2 (0.65) ABCG2USP2LMNACYP1A2CYP3A4
SCHEMBL14474151 0.77 ABCG2 (0.53) ABCG2LMNAABCB1MEN1KMT2A

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-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed