SCHEMBL4950077

SCHEMBL4950077

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.40
THRB P10828 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CSF1R P07333 3/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
LRRK2 Q5S007 1/20 0.36
KCNH2 Q12809 1/20 0.35
ATM Q13315 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
SCHEMBL4949579 0.91 THRB (0.38) PDE4BTHRBGAAMAPTCSF1R
SCHEMBL4949972 0.90 THRB (0.38) PDE4BTHRBGAAMAPTCSF1R
SCHEMBL2479664 0.85 PDE4B (0.56) PDE4BTHRBCSF1RLRRK2KCNH2
SCHEMBL2480491 0.81 PDE4B (0.46) PDE4BTHRBGAAMAPTCSF1R
SCHEMBL1275624 0.79 PDE4B (0.46) PDE4BTHRBGAAMAPTCSF1R
SCHEMBL27670156 0.77 KCNH2 (0.40) PDE4BTHRBGAAMAPTCSF1R
SCHEMBL4951405 0.77 PDE4B (0.63) PDE4BCSF1RLRRK2KCNH2ATM
SCHEMBL4951698 0.76 PDE4B (0.46) PDE4BCSF1RLRRK2
SCHEMBL4951564 0.75 CSF1R (0.53) PDE4BCSF1RLRRK2
SCHEMBL4951019 0.75 PDE4B (0.46) PDE4BCSF1RLRRK2

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