SCHEMBL17033876

SCHEMBL17033876

c1ccc(-c2cccc(-c3ccnc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.35
PDE10A Q9Y233 1/20 0.32
CAMK2D Q13557 1/20 0.31
MCL1 Q07820 3/20 0.31
PTPN1 P18031 1/20 0.31
DPP4 P27487 1/20 0.31
DKK1 O94907 1/20 0.30

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
SCHEMBL17033908 0.99 PIK3CA (0.34) PIK3CAPDE10ACAMK2DMCL1PTPN1
SCHEMBL17033456 0.89 KDM4E (0.30)
SCHEMBL14979355 0.87 PIK3CA (0.37) PIK3CAPDE10ACAMK2DMCL1DPP4
SCHEMBL17033892 0.86 PIK3CA (0.35) PIK3CAPDE10A
SCHEMBL14979351 0.86 DKK1 (0.38) PIK3CAPDE10ACAMK2DMCL1DPP4
SCHEMBL14979353 0.86 PIK3CA (0.37) PIK3CAPDE10ACAMK2DMCL1DPP4
SCHEMBL14979404 0.86 DKK1 (0.38) PIK3CAPDE10ACAMK2DMCL1DPP4
SCHEMBL17033875 0.85
SCHEMBL17033872 0.85 PIK3CA (0.34) PIK3CADKK1
SCHEMBL17033888 0.84 LIMK1 (0.32) PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed