SCHEMBL3408743

SCHEMBL3408743

COc1cc(Nc2nccc(-c3cccnc3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 7/20 0.62
PRKCD Q05655 3/20 0.62
PRKD3 O94806 1/20 0.62
PRKCG P05129 1/20 0.62
PRKCB P05771 1/20 0.62
LCK P06239 1/20 0.62
PRKCH P24723 1/20 0.62
PRKCI P41743 1/20 0.62
ZAP70 P43403 1/20 0.62
PRKCE Q02156 1/20 0.62
PRKCQ Q04759 1/20 0.62
PRKCZ Q05513 1/20 0.62
PRKD1 Q15139 1/20 0.62
ABL1 P00519 15/20 0.54
BCR P11274 14/20 0.54
PDGFRB P09619 4/20 0.52
PDGFRA P16234 4/20 0.52
EGFR P00533 3/20 0.52
SRC P12931 2/20 0.52
PRKACA P17612 1/20 0.49

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
SCHEMBL3407305 0.86 PIK3CA (0.61) PRKCAZAP70EGFRRET
SCHEMBL3409757 0.85 CDK9 (0.47) PRKCAPRKCDPRKD3PRKCGPRKCB
SCHEMBL3409641 0.84 PIK3CA (0.49) PRKCAPRKCDPRKD3PRKCGPRKCB
SCHEMBL3413279 0.83 CDK2 (0.46) PRKCAPRKCDPRKD3PRKCGPRKCB
SCHEMBL3409953 0.83 PIK3CA (0.49) LCKABL1PDGFRBEGFRACVR1
SCHEMBL3412789 0.81 SYK (0.56) ZAP70SRCRET
SCHEMBL3407822 0.81 PIK3CA (0.59) EGFRRET
SCHEMBL3409753 0.81 PIK3CA (0.52) EGFRRET
SCHEMBL3412646 0.80 SYK (0.46) RET
SCHEMBL3408737 0.80 RET (0.41) LCKZAP70EGFRSRCRET

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