SCHEMBL9508244

SCHEMBL9508244

Cc1cc(F)ccc1Nc1nc(Nc2ccccc2C)c2cc(OCCCN3CCOCC3)ccc2n1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.48
MAPK14 Q16539 2/20 0.48
AVPR1B P47901 4/20 0.47
SRC P12931 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45
FLT3 P36888 1/20 0.45
EPHX2 P34913 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL9508250 0.86
SCHEMBL9508888 0.85 SRC (0.47) SRC
SCHEMBL9509672 0.82 HRH3 (0.46) HRH3
SCHEMBL9508845 0.81 SLC2A1 (0.43)
SCHEMBL28959188 0.79 RAF1 (0.48) BTKAVPR1BSRC
SCHEMBL9511891 0.79 SLC2A1 (0.50)
SCHEMBL9508895 0.73
SCHEMBL9776763 0.73 SLC2A1 (0.68)
SCHEMBL9511859 0.73 SLC2A1 (0.52)
Hydrochloric Acid SCHEMBL9811769 0.72 SLC2A1 (0.70)

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 5 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 claimed
US-5064833-A Substituted quinazoline derivatives for use in gastrointestinal diseases SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1991-11-12 US claimed
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