SCHEMBL3466253

SCHEMBL3466253

COc1ccc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.54
▸ ABCG2 Q9UNQ0 6/20 0.53
▸ EGFR P00533 2/20 0.51
▸ BRAF P15056 1/20 0.49
▸ PSEN1 P49768 3/20 0.48
▸ PSEN2 P49810 3/20 0.48
▸ APH1B Q8WW43 3/20 0.48
▸ NCSTN Q92542 3/20 0.48
▸ APH1A Q96BI3 3/20 0.48
▸ PSENEN Q9NZ42 3/20 0.48
▸ FYN P06241 3/20 0.48
▸ SRC P12931 1/20 0.43
▸ CTSC P53634 1/20 0.43
▸ ERBB2 P04626 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3466296 0.89 POLB (0.48) ABCG2EGFRBRAFPSEN1PSEN2
SCHEMBL3467043 0.88 ABCG2 (0.54) MC4RABCG2EGFRBRAFFYN
SCHEMBL3466230 0.87 MAPT (0.47) MC4RABCG2EGFRBRAFPSEN1
SCHEMBL3470499 0.86 FYN (0.62) ABCG2EGFRBRAFPSEN1PSEN2
SCHEMBL3466346 0.83 TTK (0.45) ABCG2EGFRFYNCTSCTTK
SCHEMBL3466303 0.82 GAA (0.53) MC4RABCG2BRAFFYNTTK
SCHEMBL3466944 0.82 DYRK1A (0.44) ABCG2BRAFFYNCTSCTTK
SCHEMBL3465711 0.81 SYK (0.45) ABCG2BRAFFYNTTK
SCHEMBL3469213 0.80 FYN (0.55) MC4RABCG2BRAFFYNTTK
SCHEMBL3466340 0.80 CLK4 (0.55) FYNPDGFRBTTK

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
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO disclosed
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