SCHEMBL7215765

SCHEMBL7215765

c1ccc(Nc2nc[nH]c3c4ccccc4nc2-3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
DAPK3 O43293 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
RPS6KA3 P51812 1/20 0.47
LIMK1 P53667 1/20 0.47
MAP2K1 Q02750 1/20 0.47
ACVR1 Q04771 1/20 0.47
TYRO3 Q06418 1/20 0.47
MAP4K2 Q12851 1/20 0.47
ROCK1 Q13464 1/20 0.47

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 SCHEMBL7215863 0.98 PDE5A (0.47) NPY5RABCG2CLK4DAPK3MAP4K4
SCHEMBL7221486 0.87 EGFR (0.54) ABCG2EGFRAURKB
Hydrochloric Acid SCHEMBL7215768 0.86 EGFR (0.53) ABCG2EGFRAURKB
SCHEMBL7216215 0.78 RAD52 (0.52) CLK4EGFRMEN1KMT2APDE5A
SCHEMBL7216427 0.76 NPY5R (0.47) NPY5RABCG2CLK4DAPK3MAP4K4
Hydrochloric Acid SCHEMBL7215566 0.75 GALR3 (0.52) EGFRDYRK1AMEN1KMT2AALDH1A1
SCHEMBL3836611 0.74 KDM4E (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL5580019 0.74 DCPS (0.43) KMT2AALDH1A1LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7215707 0.73 MAOA (0.41) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL725815 0.70 POLB (0.42) ABCG2CLK4DAPK3MAP4K4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed