SCHEMBL9901287

SCHEMBL9901287

CSc1nc(Cl)cc(N(C(=O)OC(C)(C)C)C2CCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HTT P42858 1/20 0.37
SLC6A4 P31645 7/20 0.32
TACR1 P25103 5/20 0.32
SLC6A2 P23975 5/20 0.31
SLC6A3 Q01959 2/20 0.31
PIM1 P11309 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31
TTK P33981 1/20 0.31
PLAT P00750 1/20 0.30

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
SCHEMBL5739332 0.82 EHMT2 (0.35) SLC6A4TACR1SLC6A2SLC6A3PIM1
SCHEMBL5738826 0.81 NOS2 (0.33) SLC6A4TACR1SLC6A2SLC6A3EHMT2
SCHEMBL4252888 0.80 EHMT2 (0.34) SLC6A4TACR1SLC6A2SLC6A3EHMT2
SCHEMBL9900211 0.78 TACR1 (0.32) SLC6A4TACR1SLC6A2SLC6A3EHMT2
SCHEMBL4439402 0.78 POLB (0.49) POLBHTT
SCHEMBL3937268 0.76 PLAT (0.36) SLC6A4TACR1EHMT2PLAT
SCHEMBL2348264 0.73 TACR1 (0.42) SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL16597711 0.72 NOS2 (0.39) SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL5751067 0.71 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3PIM1PIM2
SCHEMBL27884240 0.71 SMN1; SMN2 (0.47) POLB

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-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO disclosed