SCHEMBL13422028

SCHEMBL13422028

CC(=O)Nc1cc(Nc2cc(NCCN3CCOCC3)c3ncc(N)n3n2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CSNK2A1 P68400 3/20 0.40
▸ CSNK2A2 P19784 2/20 0.40
▸ CSNK2B P67870 2/20 0.40
▸ NR3C1 P04150 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ LCK P06239 2/20 0.38
▸ BRAF P15056 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL3313360 0.88 CSNK2A1 (0.45) MAPK14MAPTKMT2AHTTL3MBTL1
SCHEMBL13421530 0.83 TYK2 (0.41) MAPK14CSNK2A1CSNK2A2CSNK2BLCK
SCHEMBL13422030 0.81 TYK2 (0.42) MAPK14CSNK2A1CSNK2A2CSNK2BTYK2
SCHEMBL13421572 0.79 KCNH2 (0.44) MAPK14KMT2ACSNK2A1CSNK2A2CSNK2B
SCHEMBL13421481 0.79 TYK2 (0.55) CSNK2A1CSNK2A2CSNK2BTYK2DYRK3
SCHEMBL13421552 0.77 MAPK14 (0.42) MAPK14TYK2
SCHEMBL13421762 0.76 CDK2 (0.40) MAPK14CSNK2A1CSNK2A2CSNK2BTYK2
SCHEMBL13421587 0.75 KCNH2 (0.37) MAPK14CSNK2A1CSNK2A2CSNK2BBRAF
SCHEMBL13421889 0.74 ABL1 (0.47) MAPK14IRAK4LCKBRAFTYK2
SCHEMBL3311742 0.73 CSNK2A1 (0.46) MAPK14CSNK2A1CSNK2A2CSNK2BIRAK4

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
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO disclosed
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