SCHEMBL5961534

SCHEMBL5961534

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cccc(-c4nccs4)c3)c(N3CCN(C)CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
NTRK1 P04629 5/20 0.36
NR3C1 P04150 3/20 0.36
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
PORCN Q9H237 1/20 0.34
PDE5A O76074 1/20 0.33
CSNK2A2 P19784 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNB1 Q14721 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BTK Q06187 1/20 0.32
ABL1 P00519 1/20 0.32
KIT P10721 1/20 0.32
ABL2 P42684 1/20 0.32

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
SCHEMBL5961569 0.89 KDM4E (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961465 0.85 NR3C1 (0.39) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961573 0.85 RAB9A (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961439 0.84 NR3C1 (0.38) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5961567 0.83 NR3C1 (0.42) NR3C1NPC1ABL1KIT
SCHEMBL5961493 0.83 NR3C1 (0.44) CASRNR3C1PDE4APDE4BPDE4C
SCHEMBL5961497 0.83 NR3C1 (0.44) NR3C1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7174469 0.83 NR3C1 (0.43) CASRNR3C1PDE4APDE4BPDE4C
SCHEMBL5961563 0.83 NR3C1 (0.46) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL7074508 0.81 NR3C1 (0.43) CASRNR3C1PDE4APDE4BPDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US claimed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP claimed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 WO claimed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed