SCHEMBL3531471

SCHEMBL3531471

COc1cc2c(Cl)ncnc2cc1OCN1CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.63
SRC P12931 1/20 0.63
ENPP1 P22413 3/20 0.62
ACHE P22303 5/20 0.56
BACE1 P56817 5/20 0.56
EGFR P00533 6/20 0.51
FGFR1 P11362 3/20 0.51
FLT1 P17948 3/20 0.51
FLT4 P35916 3/20 0.51
KDM1A O60341 1/20 0.48
EPHA2 P29317 2/20 0.48
EPHB4 P54760 2/20 0.48
NUDT1 P36639 1/20 0.48
ERBB2 P04626 1/20 0.47
AURKA O14965 2/20 0.46

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
SCHEMBL3954618 0.89 ENPP1 (0.65) KDRSRCENPP1ACHEBACE1
SCHEMBL3949228 0.89 ENPP1 (0.65) KDRSRCENPP1ACHEBACE1
SCHEMBL2188204 0.88 ENPP1 (0.64) KDRENPP1EGFRFGFR1FLT1
SCHEMBL2190137 0.88 ENPP1 (0.64) KDRENPP1EGFRFGFR1FLT1
SCHEMBL5223934 0.85 ENPP1 (0.60) KDRENPP1ACHEBACE1EGFR
SCHEMBL1401681 0.81 ENPP1 (0.64) KDRENPP1EGFRFGFR1FLT1
SCHEMBL30017110 0.81 EGFR (0.66) KDRSRCENPP1EGFRFGFR1
SCHEMBL1613217 0.81 EGFR (0.66) KDRSRCENPP1EGFRFGFR1
SCHEMBL18744742 0.81 ENPP1 (0.67) KDRENPP1EGFRFGFR1FLT1
SCHEMBL4178028 0.81 ENPP1 (0.67) KDRENPP1EGFRFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed