SCHEMBL3410060

SCHEMBL3410060

COc1cc(Nc2nccc(N3CCC(O)CC3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.46
IGF1R P08069 9/20 0.44
SYK P43405 1/20 0.42
ZAP70 P43403 3/20 0.41
PRKD3 O94806 1/20 0.40
EGFR P00533 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
LCK P06239 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL3411892 0.89 SLC2A1 (0.43)
SCHEMBL3408737 0.81 RET (0.41) IGF1RSYKZAP70EGFRLCK
SCHEMBL4099027 0.80 PSEN1 (0.55)
SCHEMBL3411061 0.80 SLC2A1 (0.48)
SCHEMBL3412887 0.80 IGF1R (0.38) ALKIGF1RSYK
SCHEMBL3412917 0.80 CDK1 (0.44) ALKIGF1RSYKZAP70EGFR
SCHEMBL3406844 0.79 GALR2 (0.48)
SCHEMBL3409733 0.78 CDK9 (0.41) IGF1RSYKFGFR3
SCHEMBL3410131 0.78 CCNA2 (0.37) ALKIGF1RZAP70EGFRLCK
SCHEMBL3412646 0.78 SYK (0.46) IGF1RSYKFGFR3

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