SCHEMBL14981327

SCHEMBL14981327

CCN1CCC(Oc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 13/20 0.65
▸ ALK Q9UM73 7/20 0.60
▸ INSR P06213 1/20 0.60
▸ ROS1 P08922 1/20 0.56

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
SCHEMBL12780105 0.89 ALK (0.69) ALKINSRROS1
SCHEMBL12892748 0.89 ALK (0.64) ALKINSRROS1
SCHEMBL12892746 0.81 ALK (0.66) PTK2ALKINSRROS1
SCHEMBL1911962 0.81 ALK (0.66) PTK2ALKINSRROS1
SCHEMBL1912105 0.81 ALK (0.66) PTK2ALKINSRROS1
SCHEMBL12780125 0.81 ALK (0.59) ALKINSRROS1
SCHEMBL12781682 0.80 ZAP70 (0.65) ALKINSRROS1
SCHEMBL12892741 0.80 ZAP70 (0.65) ALKINSRROS1
SCHEMBL12781187 0.80 ALK (0.62) ALKINSRROS1
SCHEMBL1912088 0.80 ALK (0.54) ALKINSRROS1

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
EP-2287156-B1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-05-29 — — EP disclosed
Send feedback