SCHEMBL19908255

SCHEMBL19908255

O=C(c1ccc(-c2cnc3c(c2)N(Cc2ccccc2)CCN3)cc1)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.71
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SLC6A7 Q99884 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1601082 0.91 ALK (0.63) ALK
SCHEMBL1602274 0.91 ALK (0.72) ALK
SCHEMBL1601017 0.89 ALK (0.67) ALKHDAC1HDAC6
SCHEMBL19908202 0.85 ALK (0.68) ALK
SCHEMBL19908387 0.84 ALK (0.68) ALK
SCHEMBL1601411 0.83 ALK (1.00) ALKHRH3
SCHEMBL12730694 0.83 ALK (1.00) ALKHRH3
SCHEMBL1601024 0.82 ALK (0.59) ALKMAPK1MEN1KMT2A
SCHEMBL1601304 0.81 ALK (0.70) ALKMEN1KMT2A
SCHEMBL1601630 0.80 ALK (0.87) ALKALDH1A1KDM4EMEN1KMT2A

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