SCHEMBL11279693

SCHEMBL11279693

COc1ccc(Nc2ncnc3ccc(F)cc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.80
GRM1 Q13255 1/20 0.80
NCOA1 Q15788 1/20 0.74
NCOA3 Q9Y6Q9 1/20 0.74
EGFR P00533 11/20 0.67
LCK P06239 4/20 0.67
NPC1 O15118 1/20 0.65
HTT P42858 1/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RAF1 P04049 1/20 0.61
BRAF P15056 1/20 0.61
ERBB2 P04626 1/20 0.60
RIPK2 O43353 1/20 0.57
EPHB2 P29323 1/20 0.57

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
SCHEMBL3339302 0.89 MAPT (1.00) MAPTGRM1NCOA1NCOA3EGFR
Hydrochloric Acid SCHEMBL7417527 0.87 MAPT (0.97) MAPTGRM1NCOA1NCOA3EGFR
Hydrochloric Acid SCHEMBL29624330 0.87 MAPT (0.97) MAPTGRM1NCOA1NCOA3EGFR
SCHEMBL27878333 0.87 USP2 (0.65) MAPTGRM1EGFRRAF1BRAF
SCHEMBL8933760 0.85 KDR (0.73) MAPTGRM1EGFRHTTBRAF
SCHEMBL15503743 0.85 NCOA1 (1.00) MAPTGRM1NCOA1NCOA3EGFR
Hydrochloric Acid SCHEMBL8808497 0.84 KDR (0.71) MAPTGRM1EGFRNPC1HTT
SCHEMBL28469600 0.84 MAPT (0.80) MAPTGRM1NCOA1NCOA3EGFR
SCHEMBL9017048 0.81 EGFR (0.70) EGFRHTTRAF1BRAFERBB2
SCHEMBL2100465 0.81 MAPT (0.84) MAPTGRM1NCOA1NCOA3EGFR

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
JP-57144266-A None JP disclosed
JP-S57144266-A 4-ANILINOQUINAZOLINE DERIVATIVE, ITS PREPARATION, AND ANALGESIC AND ANTIPHLOGISTIC AGENT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SANKYO CO LTD 1982-09-06 JP disclosed