SCHEMBL6663797

SCHEMBL6663797

COc1ccc(C(=O)c2ccc(Nc3ncnc4ccc(C)cc34)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.82
NCOA3 Q9Y6Q9 1/20 0.82
MAPT P10636 3/20 0.67
GRM1 Q13255 1/20 0.67
HPGD P15428 3/20 0.67
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 2/20 0.67
HTT P42858 4/20 0.58
MAPK1 P28482 1/20 0.58
KDR P35968 3/20 0.58
EGFR P00533 7/20 0.58
LCK P06239 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ERBB2 P04626 1/20 0.53
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52

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
SCHEMBL15503743 0.91 NCOA1 (1.00) NCOA1NCOA3MAPTGRM1HPGD
SCHEMBL5565146 0.87 KDM4E (0.74) NCOA1NCOA3MAPTHPGDALDH1A1
SCHEMBL3339302 0.81 MAPT (1.00) NCOA1NCOA3MAPTGRM1HTT
Hydrochloric Acid SCHEMBL7417527 0.80 MAPT (0.97) NCOA1NCOA3MAPTGRM1HTT
Hydrochloric Acid SCHEMBL29624330 0.80 MAPT (0.97) NCOA1NCOA3MAPTGRM1HTT
SCHEMBL5570080 0.78 KDM4E (0.67) NCOA1NCOA3MAPTHPGDALDH1A1
SCHEMBL14595168 0.77 EGFR (0.74) NCOA1NCOA3MAPTGRM1HPGD
SCHEMBL28469600 0.77 MAPT (0.80) NCOA1NCOA3MAPTGRM1HTT
SCHEMBL11279693 0.77 MAPT (0.80) NCOA1NCOA3MAPTGRM1HTT
SCHEMBL2100465 0.77 MAPT (0.84) NCOA1NCOA3MAPTGRM1HTT

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-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO claimed