SCHEMBL9508208

SCHEMBL9508208

COc1ccc2nc(Nc3ccccc3C)nc(Nc3ccccc3C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.57
NPY5R Q15761 1/20 0.51
PTPN11 Q06124 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAD52 P43351 1/20 0.48

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
Hydrochloric Acid SCHEMBL9776708 0.99 SLC2A1 (0.60) SLC2A1NPY5RPTPN11NPC1RAB9A
SCHEMBL9511891 0.92 SLC2A1 (0.50) SLC2A1PTPN11
Hydrochloric Acid SCHEMBL9776765 0.88 SLC2A1 (0.66) SLC2A1NPY5RNPC1RAB9ALMNA
SCHEMBL9776766 0.86 PTPN11 (0.50) SLC2A1PTPN11LMNASMN1; SMN2RAD52
SCHEMBL9508868 0.82 SLC2A1 (0.60) SLC2A1NPC1RAB9ALMNAPKM
SCHEMBL9508214 0.81
SCHEMBL9776700 0.81 SLC2A1 (0.83) SLC2A1NPY5RNPC1RAB9ALMNA
Bromide SCHEMBL9508822 0.81 SLC2A1 (0.59) SLC2A1NPC1RAB9ALMNAPKM
Hydrochloric Acid SCHEMBL9776711 0.80 CSF1R (0.57)
Hydrochloric Acid SCHEMBL9776677 0.79 SLC2A1 (0.86) SLC2A1NPY5RNPC1RAB9ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0404322-B1 QUINAZOLINE DERIVATIVES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-09-22 EP disclosed
US-5064833-A Substituted quinazoline derivatives for use in gastrointestinal diseases SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1991-11-12 US disclosed
EP-0404322-A1 Quinazoline derivatives SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1990-12-27 EP disclosed