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SCHEMBL12856440

SCHEMBL12856440

COc1cccc(-c2cn(-c3ccc(CNCCO)cc3)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 1.00
▸ EGFR P00533 8/20 1.00
▸ ABL1 P00519 6/20 1.00
▸ ABL2 P42684 6/20 1.00
▸ CDK1 P06493 3/20 0.76
▸ CSK P41240 2/20 0.76
▸ KDR P35968 1/20 0.67
▸ LYN P07948 1/20 0.63

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
SCHEMBL7847736 0.92 SRC (0.85) SRCEGFRABL1ABL2CDK1
SCHEMBL7847645 0.89 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7841930 0.87 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL14040866 0.86 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7845672 0.86 SRC (0.89) SRCEGFRABL1ABL2CDK1
SCHEMBL7843527 0.85 SRC (0.85) SRCEGFRABL1ABL2CDK1
SCHEMBL7847655 0.84 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL7847554 0.82 SRC (0.80) SRCEGFRABL1ABL2CDK1
SCHEMBL7834901 0.82 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7845870 0.82 SRC (1.00) SRCEGFRABL1ABL2CDK1

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