SCHEMBL14395368

SCHEMBL14395368

CCC(C)c1cnn2c(Cl)cc(C3CCCN(C(=O)OCc4ccccc4)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.42
▸ TRPC7 Q9HCX4 2/20 0.42
▸ BCL9 O00512 5/20 0.42
▸ CTNNB1 P35222 5/20 0.42
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ LCK P06239 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ AADAT Q8N5Z0 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL13901347 0.85 JAK2 (0.44) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL12953232 0.85 TRPC3 (0.44) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL12953214 0.80 JAK2 (0.45) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL13305058 0.77 TRPC3 (0.57) TRPC3TRPC7PDE4BENPP2NPC1
SCHEMBL13305223 0.77 TRPC3 (0.44) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL13305054 0.77 TRPC3 (0.53) TRPC3TRPC7PDE4BUSP30ENPP2
SCHEMBL13901233 0.76 JAK2 (0.46) TRPC3TRPC7BCL9CTNNB1JAK2
SCHEMBL12953919 0.75 TRPC3 (0.53) TRPC3TRPC7JAK2JAK1TYK2
SCHEMBL12953546 0.75 TRPC3 (0.53) TRPC3TRPC7USP30ENPP2NPC1
SCHEMBL13901344 0.75 TRPC3 (0.53) TRPC3TRPC7JAK2JAK1TYK2

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-1534710-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-10-24 — — EP disclosed
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