SCHEMBL10081

SCHEMBL10081

O=C(O)NCCc1cc2cccc(Cl)c2nc1N1CCNC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.42
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PIN1 Q13526 1/20 0.35
SLC2A1 P11166 1/20 0.34
MC5R P33032 1/20 0.34
KMT2A Q03164 2/20 0.34
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
FAAH O00519 1/20 0.34
PRMT5 O14744 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17530776 0.90 PIK3CD (0.47) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL11591 0.84 PRKCH (0.37) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL7863 0.82 PIK3CD (0.38) PIK3CDTAAR1PIN1PRKCHPRKCE
SCHEMBL718113 0.82 PRKCH (0.38) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL17530807 0.82 PIK3CD (0.58) PIK3CD
SCHEMBL845139 0.80 PIK3CD (0.53) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL718038 0.79 PIK3CD (0.35) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL8072 0.77 SOS1 (0.36) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL8073 0.76 KMT2A (0.36) PIK3CDPDE4APDE4BPDE4CPDE4D
SCHEMBL713514 0.76 PIK3CD (0.48) PIK3CDPRKCHPRKCE

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