SCHEMBL3410067

SCHEMBL3410067

COc1cc(Nc2cc(C(F)(F)F)cc(Nc3cccc(OC(F)(F)F)c3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.47
GALR2 O43603 3/20 0.43
GALR1 P47211 2/20 0.43
PIM1 P11309 1/20 0.40
TP53 P04637 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ROCK2 O75116 1/20 0.39
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
BRAF P15056 3/20 0.39
RAF1 P04049 2/20 0.39
MAPT P10636 2/20 0.37
SYK P43405 1/20 0.36
GAK O14976 1/20 0.36

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
SCHEMBL3408722 0.93 IGF1R (0.52) IGF1RGALR2GALR1PIM1PSEN1
SCHEMBL3404287 0.92 GALR2 (0.41) IGF1RGALR2GALR1PSEN1PSEN2
SCHEMBL3409746 0.90 TP53 (0.47) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL3404331 0.87 ABCB1 (0.41) GALR2TP53PSEN1PSEN2APH1B
SCHEMBL3407803 0.86 IGF1R (0.43) IGF1RGALR2GALR1ABCB1ABCC1
SCHEMBL3410953 0.86 ABCB1 (0.44) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL3413181 0.85 TP53 (0.48) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL3412202 0.84 MAPT (0.42) GALR2TP53PSEN1PSEN2APH1B
SCHEMBL3404327 0.84 DHODH (0.43) GALR2TP53PSEN1PSEN2APH1B
SCHEMBL3410817 0.80 GALR2 (0.39) IGF1RGALR2GALR1ABCB1ABCC1

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
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed