SCHEMBL3391582

SCHEMBL3391582

O=C(c1cc(OC(F)(F)F)cc(-c2ccc3nccnc3c2)c1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
SLC6A7 Q99884 1/20 0.50
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK7 Q13164 3/20 0.41
ECE2 P0DPD6 1/20 0.41
MGLL Q99685 2/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
POLB P06746 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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 0.79 HPGD (0.61) HPGDSLC6A7MEN1KMT2ASMN1; SMN2
SCHEMBL3429690 0.79 HPGD (0.61) HPGDPDE4BPDE4DECE2
SCHEMBL3435828 0.78 HPGD (0.70) HPGDSLC6A7MEN1KMT2ASMN1; SMN2
SCHEMBL3435145 0.76 HPGD (0.56) HPGDMEN1KMT2ASMN1; SMN2PDE4B
SCHEMBL3433125 0.75 HPGD (0.55) HPGDPDE4BPDE4DECE2
SCHEMBL4527873 0.73 HPGD (0.97) HPGDECE2POLB
SCHEMBL2388894 0.72 NAMPT (0.55) HPGDSLC6A7MAPK7ABL1
SCHEMBL4525058 0.71 HPGD (1.00) HPGDSMN1; SMN2ECE2
SCHEMBL4532102 0.71 HPGD (1.00) HPGDSMN1; SMN2ECE2
Cx516 SCHEMBL194605 0.71 HPGD (1.00) HPGDSMN1; SMN2ECE2

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