SCHEMBL18831872

SCHEMBL18831872

CP(C)c1ccccc1Nc1nc(Nc2ccc(N3CCC4(CCNCC4)CC3)cc2OC(F)F)ncc1Cl

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.66
▸ MAPK3 P27361 1/20 0.63
▸ EGFR P00533 3/20 0.54

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
SCHEMBL17411144 0.87 ALK (0.86) ALKMAPK3EGFR
SCHEMBL24885722 0.83 ALK (0.75) ALKEGFR
SCHEMBL29618204 0.83 ALK (0.81) ALKEGFR
SCHEMBL30833027 0.82 ALK (0.62) ALKMAPK3EGFR
SCHEMBL24620266 0.82 ALK (0.62) ALKMAPK3EGFR
SCHEMBL18832000 0.80 ALK (0.88) ALKEGFR
SCHEMBL18831906 0.80 ALK (0.65) ALKEGFR
SCHEMBL17410920 0.79 ALK (1.00) ALKEGFR
SCHEMBL29094740 0.78 EGFR (0.76) ALKEGFR
SCHEMBL17411098 0.78 ALK (1.00) ALKEGFR

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-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
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