SCHEMBL17416610

SCHEMBL17416610

CN(C)c1ccc(-c2nc3c(NC4C5C=CC(C5)C4C(N)=O)ccnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.46
▸ INSR P06213 9/20 0.46
▸ AURKB Q96GD4 7/20 0.43
▸ PARP1 P09874 1/20 0.40
▸ KDR P35968 6/20 0.37
▸ AURKA O14965 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL16243440 1.00 ALK (0.46) ALKINSRAURKBPARP1KDR
SCHEMBL17416609 0.92 MEN1 (0.43) ALKINSRAURKBPARP1AURKA
SCHEMBL15156326 0.90 ALK (0.47) ALKINSRAURKBAURKAIRAK4
SCHEMBL16242933 0.90 ALK (0.47) ALKINSRAURKBAURKAIRAK4
SCHEMBL17416456 0.87 PARP1 (0.39) ALKINSRPARP1KDRAURKA
SCHEMBL16243206 0.85 ALK (0.48) ALKINSRAURKBKDRIRAK4
SCHEMBL16243435 0.84 ALK (0.63) ALKINSRAURKBKDRAURKA
SCHEMBL16243097 0.83 ALK (0.56) ALKINSRAURKBPARP1KDR
SCHEMBL16242972 0.83 ALK (0.60) ALKINSRAURKBPARP1KDR
SCHEMBL15172549 0.83 ALK (0.61) ALKINSRAURKBKDRAURKA

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-2809671-B1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON INC (US) 2016-01-13 — — EP disclosed
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