SCHEMBL5134597

SCHEMBL5134597

CCCc1nn(C)c2cnc(N(C)c3ccc4c(ccn4C)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.34
PRKCI P41743 1/20 0.32
FAAH O00519 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MAPT P10636 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL5134598 0.75 TRPV1 (0.39) PIK3CB
SCHEMBL4900037 0.74 PDE5A (0.48)
SCHEMBL5134607 0.68 LMNA (0.36)
SCHEMBL5133891 0.67 NMT1 (0.42) PRKCI
SCHEMBL4897820 0.67 PDE5A (0.49)
SCHEMBL3122462 0.66 PDE5A (0.36) MAPTMAPK8MAPK9MAPK10
SCHEMBL18710635 0.64 PRKCI (0.55) PIK3CBPRKCIFAAHSLC6A2SLC6A4
SCHEMBL31036076 0.62 CYP2A6 (0.41) PRKCIFAAHSLC6A2SLC6A4SLC6A3
SCHEMBL13741948 0.62 PRKCI (0.53) PIK3CBPRKCIFAAHSLC6A2SLC6A4
SCHEMBL18876154 0.61 PRKCI (0.52) PIK3CBPRKCIFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO claimed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 WO disclosed