SCHEMBL1493583

SCHEMBL1493583

COc1cc(P2(=O)CCN(Cc3ccccc3)CC2)ccc1N(c1ncc(Cl)c(N)n1)c1ccccc1S(=O)(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.41
▸ INSR P06213 4/20 0.36
▸ ROS1 P08922 5/20 0.36
▸ MET P08581 3/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL15207525 0.82 ALK (0.37) ALKINSRROS1METEGFR
SCHEMBL11916576 0.74 ALK (0.70) ALKINSRROS1METEGFR
SCHEMBL21715308 0.74 ALK (0.60) ALKINSRROS1METPTK2
SCHEMBL1491742 0.71 ALK (0.45) ALKINSRROS1PTK2
SCHEMBL18338691 0.70 ALK (0.39) ALKINSRROS1METPTK2
SCHEMBL1491819 0.69 SIGMAR1 (0.47) —
SCHEMBL3960785 0.68 ALK (0.42) ALKINSR
SCHEMBL11916442 0.67 ALK (0.73) ALKINSRROS1EGFR
SCHEMBL22494176 0.66 ALK (0.37) ALKINSREGFR
SCHEMBL1376839 0.66 ZAP70 (0.47) ALKINSRROS1METPTK2

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-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 — — EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 — — WO disclosed
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