SCHEMBL9017033

SCHEMBL9017033

Cc1cccc(C)c1Nc1ncnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
ABCG2 Q9UNQ0 6/20 0.60
HTT P42858 3/20 0.60
MAP4K4 O95819 2/20 0.60
LTK P29376 2/20 0.60
MAPK8 P45983 2/20 0.60
LIMK1 P53667 2/20 0.60
ACVR1 Q04771 2/20 0.60
DYRK1A Q13627 2/20 0.60
MAPK14 Q16539 2/20 0.60
LRRK2 Q5S007 2/20 0.60
AURKB Q96GD4 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
DYRK1B Q9Y463 2/20 0.60
HIF1A Q16665 1/20 0.60
DAPK3 O43293 1/20 0.60

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
SCHEMBL31620745 0.83 MEN1 (0.64) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL8976752 0.82 EGFR (0.78) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL31620725 0.81 NPC1 (0.57) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL15452546 0.77 NPC1 (0.54) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL5566242 0.76 HTT (0.72) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL3391554 0.76 EGFR (1.00) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL5569191 0.76 GAA (0.65) EGFRNPC1RAB9APOLBMAPK1
Hydrochloric Acid SCHEMBL9017037 0.75 HTT (0.81) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL8920 0.75 EGFR (1.00) EGFRNPC1RAB9APOLBMAPK1
SCHEMBL29941271 0.75 EGFR (1.00) EGFRNPC1RAB9APOLBMAPK1

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