SCHEMBL19908258

SCHEMBL19908258

Cc1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)C(=O)CN2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
P2RX7 Q99572 1/20 0.39
NOX4 Q9NPH5 1/20 0.38
UCHL3 P15374 2/20 0.36
UCHL1 P09936 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
SLC5A2 P31639 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1601466 0.87 ALK (0.41) ALKKMT2AMEN1POLBP2RX7
SCHEMBL19908214 0.85 TRAP1 (0.38) ALKKMT2AMEN1POLBSMN1; SMN2
SCHEMBL14387485 0.82 KMT2A (0.39) ALKKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19908483 0.82 ALK (0.51) ALKKMT2AMEN1POLBSMN1; SMN2
SCHEMBL19908238 0.80 ALK (0.63) ALKP2RX7NOX4
SCHEMBL19908280 0.78 ALK (0.41) ALKSMN1; SMN2GAA
SCHEMBL19908479 0.74 ALK (0.43) ALKP2RX7
SCHEMBL1601266 0.74 TRAP1 (0.46) ALKKMT2AMEN1POLBP2RX7
SCHEMBL19908302 0.74 EDNRB (0.47) ALKP2RX7
SCHEMBL14387480 0.74 ALK (0.37) ALKP2RX7

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