SCHEMBL20103119

SCHEMBL20103119

O=C(N[C@H]1CC[C@@]2(CCN(c3ccc(F)cc3)C2=O)CC1)c1cccc2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.44
PDE4D Q08499 3/20 0.44
TNKS2 Q9H2K2 6/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
HSD11B1 P28845 1/20 0.41
TNKS O95271 3/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38

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
SCHEMBL20103186 0.92 PDE4B (0.45) PDE4BPDE4DTNKS2LMNAESR1
SCHEMBL20103212 0.92 TNKS2 (0.45) PDE4BPDE4DTNKS2TNKSMAPT
SCHEMBL20103120 0.86 PDE4B (0.46) PDE4BPDE4DTNKS2TNKSMAPT
SCHEMBL20103438 0.86 LMNA (0.44) PDE4BTNKS2LMNAESR1TNKS
SCHEMBL20103113 0.84 TNKS2 (0.42) PDE4BPDE4DTNKS2LMNAESR1
SCHEMBL20103478 0.83 TNKS2 (0.46) PDE4BPDE4DTNKS2HSD11B1TNKS
SCHEMBL20103162 0.81 LMNA (0.43) PDE4BTNKS2LMNAESR1TNKS
SCHEMBL20103204 0.80 PDE4B (0.44) PDE4BPDE4DTNKS2TNKS
SCHEMBL18208721 0.78 KDM4E (0.52) PDE4BPDE4DHSD11B1TNKSHSD17B10
SCHEMBL18208718 0.78 KDM4E (0.52) PDE4BPDE4DHSD11B1TNKSHSD17B10

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