SCHEMBL11255628

SCHEMBL11255628

CC(COc1ccc(-c2ccccc2)cc1)Nc1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.56
▸ NR2F2 P24468 4/20 0.54
▸ GALR3 O60755 3/20 0.54
▸ EGFR P00533 5/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ERBB2 P04626 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CHEK2 O96017 1/20 0.48
▸ ROS1 P08922 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ ERBB4 Q15303 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ POLB P06746 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
SCHEMBL11256846 0.92 NR2F2 (0.59) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11250025 0.89 NPC1 (0.52) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11248882 0.88 EGFR (0.52) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11246634 0.86 SMN1; SMN2 (0.51) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11254153 0.81 LDHA (0.61) NR2F2GALR3EGFRRAB9ASMN1; SMN2
SCHEMBL11240075 0.81 EGFR (0.53) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11261278 0.80 EGFR (0.52) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11243265 0.79 HTT (0.55) GBA1NR2F2GALR3EGFRSMN1; SMN2
SCHEMBL11245960 0.79 NR2F2 (0.52) GBA1NR2F2GALR3EGFRRAB9A
SCHEMBL11245912 0.79 ABCG2 (0.53) GBA1NR2F2GALR3EGFRRAB9A

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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