SCHEMBL4949972

SCHEMBL4949972

CCn1nccc1Nc1c(C(N)=O)cnc2c(S(=O)(=O)C(C)C)cc(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
CSF1R P07333 2/20 0.37
PDE4B Q07343 9/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
PIK3CA P42336 1/20 0.36
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL4950077 0.90 PDE4B (0.40) THRBCSF1RPDE4BMAPTGAA
SCHEMBL4949579 0.89 THRB (0.38) THRBCSF1RPDE4BMAPTGAA
SCHEMBL1275624 0.86 PDE4B (0.46) THRBCSF1RPDE4BMAPTGAA
SCHEMBL2479664 0.79 PDE4B (0.56) THRBCSF1RPDE4BKCNH2ATM
SCHEMBL2480491 0.79 PDE4B (0.46) THRBCSF1RPDE4BMAPTGAA
SCHEMBL4949887 0.78 PDE4B (0.55) THRBCSF1RPDE4BKCNH2ATM
SCHEMBL27670156 0.75 KCNH2 (0.40) THRBCSF1RPDE4BMAPTGAA
SCHEMBL4949692 0.75 PDE4B (0.42) CSF1RPDE4B
SCHEMBL5929641 0.71 CSF1R (0.61) CSF1R
SCHEMBL1276080 0.70 PDE4B (0.78) CSF1RPDE4B

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-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP claimed