SCHEMBL7513679

SCHEMBL7513679

COc1ccc(Cc2ncnc3ccccc23)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.60
LMNA P02545 4/20 0.56
CYP3A4 P08684 3/20 0.56
MAPK1 P28482 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ACHE P22303 3/20 0.56
USP2 O75604 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HIF1A Q16665 2/20 0.56
PDE10A Q9Y233 2/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
PDE2A O00408 1/20 0.56
ABCC4 O15439 1/20 0.56
PDE5A O76074 1/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX15 P16050 1/20 0.56

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 SCHEMBL7511516 0.99 APP (0.59) APPLMNACYP3A4MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7522378 0.99 APP (0.59) APPLMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL7512207 0.86 MAPK1 (0.62) APPLMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL23457461 0.84 PDE10A (0.53) APPLMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL7516533 0.81 EGFR (0.60) LMNAMAPK1SMN1; SMN2ALDH1A1PDE10A
SCHEMBL11819246 0.79 PDE10A (0.56) APPLMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL7517528 0.78 AR (0.51) APPLMNACYP3A4MAPK1SMN1; SMN2
SCHEMBL4429531 0.78 PDE10A (0.75) LMNACYP3A4MAPK1SMN1; SMN2ACHE
SCHEMBL8543981 0.77 LMNA (0.66) APPLMNAMAPK1SMN1; SMN2ACHE
SCHEMBL4868010 0.77 APP (0.78) APPLMNAMAPK1SMN1; SMN2ACHE

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
EP-0832073-B1 QUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS SUGEN INC (US) 2002-01-16 EP claimed