SCHEMBL9938205

SCHEMBL9938205

O=C(NC1CC1)c1ccc(OBOc2ccc(C(=O)NC3CC3)c(Cl)c2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
HRH3 Q9Y5N1 3/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
P2RX7 Q99572 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
SLC6A12 P48065 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
EZH2 Q15910 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL457249 0.83 RAB9A (0.48) HPGDHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL30682441 0.82 HPGD (0.59) HPGDHRH3NPC1RAB9AP2RX7
SCHEMBL4640347 0.79 JAK2 (0.46) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29077678 0.79 HPGD (0.71) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL28378463 0.77 HPGD (0.69) HPGDHRH3NPC1RAB9AP2RX7
SCHEMBL10282412 0.76 RAB9A (0.86) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL1820539 0.76 HPGD (0.68) HPGDHRH3NPC1RAB9AP2RX7
SCHEMBL4516890 0.76 HPGD (0.68) HPGDHRH3NPC1RAB9AP2RX7
SCHEMBL2319509 0.75 RAB9A (0.56) HPGDHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL12672349 0.75 HPGD (0.66) HPGDHRH3NPC1RAB9AP2RX7

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-2651948-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
WO-2012080229-A1 IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 WO disclosed