SCHEMBL11249615

SCHEMBL11249615

COc1ccccc1OC(C)(C)CNc1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.56
▸ LDHA P00338 1/20 0.53
▸ KCNA5 P22460 1/20 0.53
▸ EGFR P00533 4/20 0.52
▸ NR2F2 P24468 3/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GALR3 O60755 2/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ DYRK3 O43781 1/20 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
SCHEMBL11246726 0.88 LDHA (0.50) APPLDHAKCNA5EGFRNR2F2
SCHEMBL11251106 0.86 LDHA (0.49) APPLDHAKCNA5EGFRNR2F2
SCHEMBL11245793 0.83 EGFR (0.54) APPLDHAEGFRNR2F2ABCG2
SCHEMBL11250104 0.80 EGFR (0.52) APPLDHAEGFRNR2F2POLB
SCHEMBL11256393 0.79 LDHA (0.55) APPLDHAEGFRNR2F2POLB
SCHEMBL11104495 0.79 KCNA5 (0.44) APPKCNA5EGFRMAPK1CYP1A2
SCHEMBL11242446 0.79 EGFR (0.57) APPLDHAEGFRNR2F2POLB
SCHEMBL11260502 0.79 EGFR (0.51) APPLDHAEGFRNR2F2ABCG2
SCHEMBL11262398 0.78 LDHA (0.72) APPLDHAEGFRNR2F2ABCG2
SCHEMBL11248676 0.77 EGFR (0.52) APPLDHAEGFRNR2F2ABCG2

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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