SCHEMBL20103120

SCHEMBL20103120

O=C(N[C@H]1CC[C@@]2(CCN(c3cccc(Cl)c3)C2=O)CC1)c1cccc2nccnc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.46
PDE4D Q08499 7/20 0.46
TNKS2 Q9H2K2 3/20 0.40
TNKS O95271 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD4 P21917 1/20 0.38
DOCK5 Q9H7D0 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
BTK Q06187 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
METAP2 P50579 1/20 0.37

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
SCHEMBL20103212 0.91 TNKS2 (0.45) PDE4BPDE4DTNKS2TNKSMEN1
SCHEMBL20103186 0.87 PDE4B (0.45) PDE4BPDE4DTNKS2TNKSMAPT
SCHEMBL20103119 0.86 PDE4B (0.44) PDE4BPDE4DTNKS2TNKSMEN1
SCHEMBL20103478 0.85 TNKS2 (0.46) PDE4BPDE4DTNKS2TNKSMEN1
SCHEMBL20103438 0.84 LMNA (0.44) PDE4BTNKS2TNKSMEN1KMT2A
SCHEMBL20103113 0.83 TNKS2 (0.42) PDE4BPDE4DTNKS2TNKSMEN1
SCHEMBL18208115 0.82 PDE4B (0.44) PDE4BPDE4D
SCHEMBL18208112 0.82 PDE4B (0.44) PDE4BPDE4D
SCHEMBL18208994 0.80 SMN1; SMN2 (0.54) TNKSHSD17B10
SCHEMBL18208992 0.80 SMN1; SMN2 (0.54) TNKSHSD17B10

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-2018078005-A1 AMIDO-SUBSTITUTED AZASPIRO DERIVATIVES AS TANKYRASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed