SCHEMBL11246699

SCHEMBL11246699

CC(C)(CNc1nc(Cl)nc2ccccc12)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.57
▸ PDE5A O76074 1/20 0.57
▸ KCNA5 P22460 1/20 0.49
▸ GBA1 P04062 1/20 0.43
▸ TLR7 Q9NYK1 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40

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
SCHEMBL11240404 0.92 APP (0.52) APPPDE5AKCNA5GBA1TLR7
SCHEMBL11259177 0.89 APP (0.49) APPPDE5AKCNA5MAPTCYP1A2
SCHEMBL11250987 0.84 APP (0.52) APPPDE5AKCNA5TLR7MAPT
SCHEMBL11245793 0.82 EGFR (0.54) APPMAPTHTTCYP1A2MAPK1
SCHEMBL17799955 0.82 SLC6A3 (0.59) APPPDE5AKCNA5TLR7MAPT
SCHEMBL11240704 0.79 APP (0.49) APPPDE5AKCNA5GBA1TLR7
SCHEMBL11242446 0.78 EGFR (0.57) APPMAPTHTTCYP1A2MAPK1
SCHEMBL29161537 0.77 APP (0.69) APPPDE5ATLR7MAPTHTT
SCHEMBL17799841 0.76 APP (0.58) APPPDE5AKCNA5MAPTHTT
SCHEMBL11250201 0.76 APP (0.63) APPPDE5AGBA1MAPTCYP1A2

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
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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