SCHEMBL6967449

SCHEMBL6967449

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
QPCT Q16769 1/20 0.48
PGR P06401 3/20 0.48
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6977516 0.91 PGR (0.58) TSHRGAAKMT2AQPCTPGR
SCHEMBL6979646 0.88 TSHR (0.52) TSHRGAAKMT2AQPCTPGR
SCHEMBL6979105 0.85 CYP1A2 (0.52) TSHRGAAKMT2AQPCT
SCHEMBL6978590 0.85 QPCT (0.49) TSHRGAAKMT2AQPCTPGR
SCHEMBL6980841 0.85 CYP1A2 (0.51) TSHRGAAKMT2AQPCT
SCHEMBL6976593 0.85 TSHR (0.49) TSHRGAAKMT2AQPCTPGR
SCHEMBL6981436 0.85 CYP1A2 (0.51) TSHRGAAKMT2AQPCTPGR
SCHEMBL6980755 0.85 TSHR (0.54) TSHRGAAKMT2AQPCTPGR
SCHEMBL6979128 0.85 KMT2A (0.51) TSHRGAAKMT2AQPCTPGR
SCHEMBL6981540 0.85 TSHR (0.47) TSHRGAAKMT2AQPCTPGR

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
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP disclosed