SCHEMBL20103113

SCHEMBL20103113

O=C(N[C@H]1CC[C@@]2(CCN(c3c(F)cc(F)cc3Cl)C2=O)CC1)c1cccc2nccnc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 12/20 0.42
TNKS O95271 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
HPGD P15428 1/20 0.37
PDE4B Q07343 3/20 0.36
PDE4D Q08499 2/20 0.36
MAP3K5 Q99683 1/20 0.36

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
SCHEMBL20103438 0.88 LMNA (0.44) TNKS2TNKSMEN1KMT2ALMNA
SCHEMBL20103186 0.86 PDE4B (0.45) TNKS2TNKSLMNAESR1PDE4B
SCHEMBL20103119 0.84 PDE4B (0.44) TNKS2TNKSMEN1KMT2ALMNA
SCHEMBL20103162 0.83 LMNA (0.43) TNKS2TNKSMEN1KMT2ALMNA
SCHEMBL20103478 0.83 TNKS2 (0.46) TNKS2TNKSMEN1KMT2APDE4B
SCHEMBL20103120 0.83 PDE4B (0.46) TNKS2TNKSMEN1KMT2APDE4B
SCHEMBL20103204 0.82 PDE4B (0.44) TNKS2TNKSHPGDPDE4BPDE4D
SCHEMBL20103212 0.81 TNKS2 (0.45) TNKS2TNKSMEN1KMT2APDE4B
SCHEMBL18208192 0.80 PDE4B (0.43) PDE4BPDE4D
SCHEMBL18208194 0.80 PDE4B (0.43) PDE4BPDE4D

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