SCHEMBL9017040

SCHEMBL9017040

NCc1cc(Nc2ncnc3ccccc23)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.60
HTT P42858 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.59
AHR P35869 1/20 0.56
EGFR P00533 8/20 0.55
ACVR1 Q04771 2/20 0.55
DYRK1B Q9Y463 2/20 0.55
DAPK3 O43293 1/20 0.55
MAP4K4 O95819 1/20 0.55
ABL1 P00519 1/20 0.55
ERBB2 P04626 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55
LTK P29376 1/20 0.55
MAPK8 P45983 1/20 0.55
CSNK1A1 P48729 1/20 0.55
RPS6KA3 P51812 1/20 0.55
LIMK1 P53667 1/20 0.55
MAP2K1 Q02750 1/20 0.55

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
SCHEMBL25530263 0.80 ABCG2 (0.65) ABCG2HTTGLAGAAAHR
SCHEMBL13138547 0.77 EGFR (0.67) ABCG2HTTGLAGAAAHR
SCHEMBL29894633 0.76 ABCG2 (1.00) ABCG2HTTGLAGAAAHR
SCHEMBL4478882 0.76 ABCG2 (1.00) ABCG2HTTGLAGAAAHR
SCHEMBL5569900 0.75 HTT (1.00) ABCG2HTTGLAGAAAHR
SCHEMBL13138549 0.74 ABCG2 (0.64) ABCG2HTTGLAGAAAHR
SCHEMBL4393321 0.74 AHR (0.97) ABCG2HTTGLAAHREGFR
SCHEMBL5569266 0.72 EGFR (0.77) ABCG2HTTGLAGAAAHR
SCHEMBL5566242 0.72 HTT (0.72) ABCG2HTTGLAGAAAHR
SCHEMBL29941271 0.72 EGFR (1.00) ABCG2HTTGLAGAAAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520722-B1 Therapeutic preparations containing quinazoline derivatives ZENECA LTD (GB) 1996-12-27 EP disclosed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP disclosed