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SCHEMBL2945677

SCHEMBL2945677

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(C)cc3S(=O)(=O)N(C)C)n1)CCN(CC(=O)N(C)C)CC2.Cc1ccc(N)c(S(=O)(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.66
▸ INSR P06213 7/20 0.66
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL886544 0.94 ALK (0.74) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL885931 0.88 ALK (0.75) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL885789 0.88 ALK (0.84) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL885543 0.87 ALK (0.74) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2061658 0.87 ALK (0.73) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL885884 0.86 ALK (0.82) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2062285 0.85 ALK (0.70) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886033 0.84 ALK (0.85) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2945679 0.83 ALK (0.52) ALKINSR
SCHEMBL2942776 0.82 ALK (0.91) ALKINSRCYP3A4CYP2C9CYP2C19

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 — — EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — WO disclosed