SCHEMBL12856370

SCHEMBL12856370

COc1ccc(CC(CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 1.00
▸ ABL1 P00519 8/20 1.00
▸ ABL2 P42684 8/20 1.00
▸ PIK3CD O00329 1/20 0.62
▸ PIK3CA P42336 1/20 0.62
▸ PIK3CB P42338 1/20 0.62
▸ PIK3CG P48736 1/20 0.62
▸ PRKDC P78527 1/20 0.62
▸ SRC P12931 12/20 0.54
▸ CDK1 P06493 2/20 0.53
▸ KDR P35968 1/20 0.51
▸ TEK Q02763 1/20 0.51

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
SCHEMBL8820310 0.79 EGFR (0.78) EGFRABL1ABL2SRCCDK1
SCHEMBL407936 0.77 PIK3CD (1.00) EGFRABL1ABL2PIK3CDPIK3CA
SCHEMBL8819225 0.75 EGFR (0.72) EGFRABL1ABL2SRCKDR
SCHEMBL2074335 0.73 KDR (0.76) EGFRABL1ABL2PIK3CDPIK3CA
SCHEMBL7005327 0.72 TEK (0.76) EGFRABL1ABL2SRCKDR
SCHEMBL27378709 0.71 PIK3CD (0.63) EGFRABL1ABL2PIK3CDPIK3CA
SCHEMBL7057974 0.70 PIK3CD (0.73) EGFRABL1ABL2PIK3CDPIK3CA
SCHEMBL7834175 0.70 SRC (0.71) EGFRABL1ABL2PIK3CDPIK3CA
SCHEMBL7845870 0.69 SRC (1.00) EGFRABL1ABL2SRCCDK1
Dimethylamine SCHEMBL7834177 0.69 SRC (0.71) EGFRABL1ABL2PIK3CDPIK3CA

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-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 — — EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 — — EP disclosed
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