SCHEMBL6501035

SCHEMBL6501035

Cc1cc(-c2cn[nH]c(=O)c2CN2CCN(C)CC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
TNKS O95271 3/20 0.42
CHKA P35790 2/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
DAPK3 O43293 1/20 0.39
NTRK1 P04629 1/20 0.39
PIM1 P11309 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
ROCK1 Q13464 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DDR2 Q16832 3/20 0.39
ROCK2 O75116 1/20 0.39
PARP1 P09874 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 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
SCHEMBL6839529 0.75 MAPK1 (0.49) LMNA
SCHEMBL5584248 0.69 CHKA (0.42) TNKSCHKAAXLWDR5
SCHEMBL15638220 0.69 CDK6 (0.45) CHKAAXLWDR5
Hydrochloric Acid SCHEMBL5584380 0.68 CHKA (0.41) TNKSCHKAAXLWDR5
SCHEMBL10071720 0.68 CHKA (0.56) TNKSCHKAAXLLMNA
SCHEMBL6838606 0.68 MAPK1 (0.46) ROCK2KCNH2
SCHEMBL1926217 0.67 MEN1 (0.42) TNKSCHKA
SCHEMBL5584587 0.67 CNR2 (0.44) TNKSCHKAPARP1POLBAXL
Hydrochloric Acid SCHEMBL1925086 0.66 MEN1 (0.42) TNKSCHKA
Hydrochloric Acid SCHEMBL5585056 0.66 CNR2 (0.44) TNKSCHKAPARP1POLBAXL

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
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US claimed