SCHEMBL845139

SCHEMBL845139

CC(=O)N1CCN(c2nc3c(Cl)cccc3cc2CCNC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.53
CNR2 P34972 4/20 0.43
FAAH O00519 1/20 0.41
CNR1 P21554 2/20 0.40
P2RY12 Q9H244 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NCF1 P14598 1/20 0.38

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
SCHEMBL15899852 0.81 PIK3CD (0.42) PIK3CDCNR2CNR1MAPTKDM4E
SCHEMBL10081 0.80 PIK3CD (0.42) PIK3CDFAAHTP53PDE4APDE4B
SCHEMBL715607 0.77 CNR2 (0.43) PIK3CDCNR2CNR1P2RY12MAPT
SCHEMBL8614 0.77 DRD4 (0.45) PIK3CDFAAHALDH1A1
SCHEMBL3711668 0.76 MTNR1A (0.39) PIK3CD
SCHEMBL3716004 0.72 GHSR (0.38) PIK3CDCNR1MAPTKDM4EALDH1A1
SCHEMBL714860 0.71 PIK3CD (0.42) PIK3CDCNR2CNR1P2RY12MAPT
SCHEMBL714861 0.71 PIK3CD (0.42) PIK3CDCNR2CNR1P2RY12MAPT
SCHEMBL3705670 0.71 PIK3CD (0.43) PIK3CDKDM4EALDH1A1
SCHEMBL715606 0.71 CNR2 (0.41) PIK3CDCNR2CNR1MAPTKDM4E

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
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed