SCHEMBL17527378

SCHEMBL17527378

CCN1CC[P](O)(c2ccc(Nc3nnc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.57
▸ ROS1 P08922 8/20 0.57
▸ INSR P06213 1/20 0.49
▸ IGF1R P08069 1/20 0.49
▸ ZAP70 P43403 2/20 0.49
▸ EGFR P00533 2/20 0.49
▸ MET P08581 1/20 0.48

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
SCHEMBL11900446 0.92 ALK (0.57) ALKROS1INSRIGF1RZAP70
SCHEMBL11916357 0.82 ALK (0.48) ALKROS1INSR
SCHEMBL17527331 0.81 ALK (0.63) ALKROS1INSRIGF1RZAP70
SCHEMBL11916442 0.81 ALK (0.73) ALKROS1INSRIGF1RZAP70
SCHEMBL17527349 0.81 ALK (0.47) ALKROS1INSRIGF1RZAP70
SCHEMBL11900888 0.79 ALK (0.64) ALKROS1INSRIGF1RZAP70
SCHEMBL11900488 0.79 ALK (0.64) ALKROS1INSRIGF1RZAP70
SCHEMBL11902141 0.78 ALK (0.77) ALKROS1INSRIGF1RZAP70
SCHEMBL17527319 0.78 ALK (0.67) ALKROS1INSRIGF1RZAP70
SCHEMBL15207208 0.78 ALK (0.68) ALKROS1INSRIGF1RZAP70

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
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US claimed
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