SCHEMBL3407282

SCHEMBL3407282

COc1cc(Nc2nccc(Oc3c(Cl)cccc3Cl)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.42
RET P07949 1/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
EGFR P00533 2/20 0.40
FGFR1 P11362 1/20 0.40
PIK3CA P42336 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
KDR P35968 2/20 0.39
EPHB4 P54760 1/20 0.39
PTK2 Q05397 1/20 0.39
JAK2 O60674 1/20 0.38
CDK2 P24941 1/20 0.38
PTK2B Q14289 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN9A Q15858 2/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL3409953 0.83 PIK3CA (0.49) RETAURKAAURKBEGFRFGFR1
SCHEMBL3407822 0.80 PIK3CA (0.59) RETAURKAAURKBEGFRPIK3CA
SCHEMBL3409753 0.80 PIK3CA (0.52) RETAURKAAURKBEGFRPIK3CA
SCHEMBL3409641 0.79 PIK3CA (0.49) RETAURKAAURKBEGFRPIK3CA
SCHEMBL3412646 0.79 SYK (0.46) IGF1RRETAURKAAURKBFGFR1
SCHEMBL3407305 0.79 PIK3CA (0.61) RETEGFRPIK3CAPIK3CBPIK3CG
SCHEMBL4090918 0.78 PSEN1 (0.52)
SCHEMBL3410316 0.78 IMPDH2 (0.44) NPC1RAB9A
SCHEMBL3410466 0.78 PSEN1 (0.43) IGF1RRETAURKAAURKBEGFR
SCHEMBL3406106 0.78 IGF1R (0.41) IGF1RRETAURKAAURKBFGFR1

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