SCHEMBL19908347

SCHEMBL19908347

Cc1ccc(Cl)c(CN2CCNc3ncc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.46
MAPT P10636 10/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 3/20 0.43
GFER P55789 1/20 0.41
THRB P10828 2/20 0.41
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1601377 0.92 ALK (0.53) ALKMAPTKDM4EALDH1A1TP53
SCHEMBL19908279 0.89 MAPT (0.48) ALKMAPTKDM4EALDH1A1GLA
SCHEMBL12052509 0.89 ALK (0.50) ALKMAPTKDM4EALDH1A1GLA
SCHEMBL1601988 0.87 ALK (0.50) ALKMAPTKDM4EALDH1A1TP53
SCHEMBL19908395 0.82 ALK (0.62) ALKMAPTKDM4EALDH1A1GLA
SCHEMBL1602279 0.82 ALK (0.49) ALKMAPTKDM4EALDH1A1GLA
SCHEMBL1602183 0.82 ALK (0.48) ALKMAPTKDM4EALDH1A1TP53
SCHEMBL1601076 0.81 ALK (0.49) ALKMAPTKDM4EALDH1A1TP53
SCHEMBL1600388 0.81 ALK (0.50) ALKMAPTSCN2ASCN10A
SCHEMBL19908352 0.81 ALK (0.47) ALKMAPT

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-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed