SCHEMBL11250025

SCHEMBL11250025

Cc1ccc(OCC(C)Nc2ncnc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ POLB P06746 2/20 0.52
▸ NR2F2 P24468 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ GBA1 P04062 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ EGFR P00533 3/20 0.47
▸ CHEK2 O96017 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ ROS1 P08922 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ ERBB4 Q15303 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ HTT P42858 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
SCHEMBL11256846 0.91 NR2F2 (0.59) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL11255628 0.89 GBA1 (0.56) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL11248882 0.89 EGFR (0.52) NPC1RAB9APOLBNR2F2GALR3
SCHEMBL11246634 0.88 SMN1; SMN2 (0.51) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL11240075 0.86 EGFR (0.53) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL11243265 0.85 HTT (0.55) NR2F2MAPK1GALR3GBA1SMN1; SMN2
SCHEMBL11254153 0.82 LDHA (0.61) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL11245960 0.82 NR2F2 (0.52) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL8490824 0.82 NR2F2 (0.55) NPC1RAB9APOLBNR2F2MAPK1
SCHEMBL11246446 0.81 GBA1 (0.54) NPC1RAB9APOLBMAPK1GBA1

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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