SCHEMBL6973665

SCHEMBL6973665

O=c1c2ccccc2n(CCCn2ccnc2)c(=O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
TSHR P16473 1/20 0.47
NOS1 P29475 3/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
QPCT Q16769 1/20 0.46
PGR P06401 1/20 0.46
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
MAPT P10636 1/20 0.42

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
SCHEMBL6980301 0.91 TSHR (0.46) CYP19A1TSHRNOS1GAAKMT2A
SCHEMBL6979646 0.90 TSHR (0.52) TSHRGAAKMT2AQPCTPGR
SCHEMBL6979770 0.89 FNTA (0.46) CYP19A1TSHRGAAKMT2AQPCT
SCHEMBL6978590 0.89 QPCT (0.49) CYP19A1TSHRGAAKMT2AQPCT
SCHEMBL6977516 0.88 PGR (0.58) TSHRGAAKMT2AQPCTPGR
SCHEMBL6976593 0.87 TSHR (0.49) TSHRGAAKMT2AQPCTPGR
SCHEMBL6979128 0.87 KMT2A (0.51) TSHRGAAKMT2AQPCTPGR
SCHEMBL6981436 0.87 CYP1A2 (0.51) TSHRGAAKMT2AQPCTPGR
SCHEMBL6980755 0.87 TSHR (0.54) CYP19A1TSHRGAAKMT2AQPCT
Hydrochloric Acid SCHEMBL7127430 0.86 TSHR (0.48) 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