SCHEMBL6978069

SCHEMBL6978069

Cn1c(=O)c2ccccc2n(CCCn2ccnc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
QPCT Q16769 1/20 0.55
PRKCI P41743 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
IDH1 O75874 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP2 O75604 1/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Fumaric Acid SCHEMBL7122519 0.91 TSHR (0.53) TSHRGAAKMT2AQPCTALDH1A1
Fumaric Acid SCHEMBL7122515 0.91 TSHR (0.53) TSHRGAAKMT2AQPCTALDH1A1
SCHEMBL10654605 0.85 TSHR (0.60) TSHRGAAKMT2AQPCTPRKCI
SCHEMBL6977516 0.84 PGR (0.58) TSHRGAAKMT2AQPCTALDH1A1
SCHEMBL6982149 0.83 TSHR (0.57) TSHRGAAKMT2AQPCTALDH1A1
SCHEMBL6969321 0.83 TSHR (0.57) TSHRGAAKMT2AQPCTALDH1A1
SCHEMBL6979646 0.83 TSHR (0.52) TSHRGAAKMT2AQPCTALDH1A1
SCHEMBL6980755 0.83 TSHR (0.54) TSHRGAAKMT2AQPCTPRKCI
SCHEMBL6982150 0.83 TSHR (0.52) TSHRGAAKMT2AQPCTPRKCI
SCHEMBL6982405 0.82 TSHR (0.56) TSHRGAAKMT2AQPCTALDH1A1

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