SCHEMBL11245912

SCHEMBL11245912

COc1ccccc1OCC(C)Nc1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.53
▸ NR2F2 P24468 2/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ APP P05067 1/20 0.51
▸ EGFR P00533 5/20 0.48
▸ KRAS P01116 3/20 0.48
▸ SOS1 Q07889 2/20 0.48
▸ LDHA P00338 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ LTK P29376 1/20 0.47
▸ GRK5 P34947 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
SCHEMBL11245960 0.87 NR2F2 (0.52) ABCG2NR2F2GALR3EGFRLDHA
SCHEMBL11254153 0.85 LDHA (0.61) ABCG2NR2F2GALR3EGFRLDHA
SCHEMBL8497690 0.84 NR2F2 (0.51) ABCG2NR2F2GALR3APPEGFR
SCHEMBL11256846 0.83 NR2F2 (0.59) ABCG2NR2F2GALR3APPEGFR
SCHEMBL11250025 0.80 NPC1 (0.52) NR2F2GALR3EGFRKRASLDHA
SCHEMBL9608143 0.79 NR2F2 (0.46) ABCG2NR2F2GALR3APPEGFR
SCHEMBL11248882 0.79 EGFR (0.52) NR2F2GALR3EGFRKRASLDHA
SCHEMBL11255628 0.79 GBA1 (0.56) ABCG2NR2F2GALR3APPEGFR
SCHEMBL13283199 0.78 GALR3 (0.63) ABCG2NR2F2GALR3APPEGFR
SCHEMBL4572178 0.78 GALR3 (0.63) ABCG2NR2F2GALR3APPEGFR

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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