SCHEMBL3429690

SCHEMBL3429690

Nc1cc(C(=O)N2CCCC2)cc(-c2ccc3nccnc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.61
KDM4E B2RXH2 1/20 0.56
ECE2 P0DPD6 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
NTRK1 P04629 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL3433790 0.85 HPGD (0.61) HPGDPDE4BPDE4D
SCHEMBL3435828 0.83 HPGD (0.70) HPGDPDE4BPDE4D
SCHEMBL3433125 0.82 HPGD (0.55) HPGDECE2PDE4BPDE4DCCNT1
SCHEMBL3435145 0.81 HPGD (0.56) HPGDKDM4EECE2PDE4BPDE4D
SCHEMBL3391582 0.79 HPGD (0.54) HPGDECE2PDE4BPDE4D
SCHEMBL4527873 0.78 HPGD (0.97) HPGDECE2
SCHEMBL4532102 0.77 HPGD (1.00) HPGDECE2
Cx516 SCHEMBL194605 0.77 HPGD (1.00) HPGDECE2
SCHEMBL4525058 0.77 HPGD (1.00) HPGDECE2
Cx516 SCHEMBL31660971 0.77 HPGD (1.00) HPGDECE2

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
WO-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed