SCHEMBL19312802

SCHEMBL19312802

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(C(C)C)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.83
INSR P06213 14/20 0.83
IGF1R P08069 14/20 0.83
EGFR P00533 5/20 0.70
CHEK1 O14757 2/20 0.70
AURKA O14965 2/20 0.70
NUAK1 O60285 2/20 0.70
JAK2 O60674 2/20 0.70
STK10 O94804 2/20 0.70
PRKD3 O94806 2/20 0.70
CHEK2 O96017 2/20 0.70
ABL1 P00519 2/20 0.70
ERBB2 P04626 2/20 0.70
LCK P06239 2/20 0.70
FYN P06241 2/20 0.70
FES P07332 2/20 0.70
CSF1R P07333 2/20 0.70
YES1 P07947 2/20 0.70
LYN P07948 2/20 0.70
RET P07949 2/20 0.70

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
SCHEMBL26087740 0.94 ALK (0.86) ALKINSRIGF1REGFRCHEK1
SCHEMBL30377906 0.94 ALK (0.86) ALKINSRIGF1REGFRCHEK1
SCHEMBL26089861 0.91 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL19201792 0.90 ALK (0.82) ALKINSRIGF1REGFRCHEK1
SCHEMBL28485751 0.89 ALK (0.76) ALKINSRIGF1REGFRCHEK1
SCHEMBL28479266 0.89 ALK (0.76) ALKINSRIGF1REGFRCHEK1
SCHEMBL31202962 0.88 ALK (0.80) ALKINSRIGF1REGFRCHEK1
SCHEMBL15206735 0.88 ALK (0.80) ALKINSRIGF1REGFRCHEK1
SCHEMBL11900391 0.88 ALK (0.80) ALKINSRIGF1REGFRCHEK1
SCHEMBL30965382 0.88 ALK (0.82) ALKINSRIGF1REGFRCHEK1

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-2300013-B1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2017-09-06 EP disclosed