SCHEMBL11085630

SCHEMBL11085630

Clc1cccc2ncnc(Nc3ccccc3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.58
ABL1 P00519 4/20 0.58
MAP4K4 O95819 3/20 0.58
PIM1 P11309 3/20 0.58
MAP4K2 Q12851 3/20 0.58
DYRK1A Q13627 3/20 0.58
AURKB Q96GD4 3/20 0.58
CLK4 Q9HAZ1 3/20 0.58
PIM3 Q86V86 2/20 0.58
ERBB2 P04626 2/20 0.58
PRKACA P17612 2/20 0.58
TYRO3 Q06418 2/20 0.58
DAPK3 O43293 1/20 0.58
LTK P29376 1/20 0.58
MAPK8 P45983 1/20 0.58
CSNK1A1 P48729 1/20 0.58
RPS6KA3 P51812 1/20 0.58
LIMK1 P53667 1/20 0.58
MAP2K1 Q02750 1/20 0.58
ACVR1 Q04771 1/20 0.58

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 SCHEMBL11079649 0.98 EGFR (0.57) EGFRABL1MAP4K4PIM1MAP4K2
Hydrochloric Acid SCHEMBL8808309 0.86 KDR (0.64) EGFRABL1MAP4K4PIM1MAP4K2
SCHEMBL31162309 0.86 EGFR (0.68) EGFRABL1ERBB2MAPK14FADS1
SCHEMBL11088154 0.86 EGFR (0.68) EGFRABL1ERBB2MAPK14FADS1
Hydrochloric Acid SCHEMBL11091518 0.85 EGFR (0.68) EGFRABL1ERBB2MAPK14FADS1
Hydrochloric Acid SCHEMBL8807754 0.82 EGFR (0.67) EGFRAURKBCLK4ERBB2MKNK2
SCHEMBL13042322 0.77 EGFR (0.74) EGFRABL1MAP4K4PIM1MAP4K2
SCHEMBL11092859 0.74 EGFR (0.58) EGFRABL1MAP4K4PIM1MAP4K2
SCHEMBL8920 0.74 EGFR (1.00) EGFRABL1MAP4K4PIM1MAP4K2
SCHEMBL29941271 0.74 EGFR (1.00) EGFRABL1MAP4K4PIM1MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55038325-A None JP disclosed
US-4464375-A ANALGESIC, ANTIINFLAMMATORY SANKYO CO., LTD. (JP) 1984-08-07 US disclosed
US-4322420-A Method of using 4-anilinoquinazoline derivatives as analgesic and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1982-03-30 US disclosed
JP-S5538325-A 4-ANILINOQUINAZOLINE DERIVATIVE AND ITS PREPARATION SANKYO CO LTD 1980-03-17 JP disclosed