SCHEMBL20103162

SCHEMBL20103162

O=C(N[C@H]1CC[C@@]2(CCCN(c3ccc(F)cc3Cl)C2=O)CC1)c1cccc2nccnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
TNKS2 Q9H2K2 6/20 0.42
HPGD P15428 1/20 0.41
PDE4B Q07343 4/20 0.40
CRHR1 P34998 2/20 0.39
CRHR2 Q13324 1/20 0.39
P2RX7 Q99572 3/20 0.39
TNKS O95271 3/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 0.95 LMNA (0.44) LMNAESR1TNKS2HPGDPDE4B
SCHEMBL20103204 0.89 PDE4B (0.44) TNKS2HPGDPDE4BCRHR1CRHR2
SCHEMBL20103478 0.84 TNKS2 (0.46) TNKS2PDE4BP2RX7TNKSMEN1
SCHEMBL20103113 0.83 TNKS2 (0.42) LMNAESR1TNKS2HPGDPDE4B
SCHEMBL20103178 0.83 TNKS2 (0.42) LMNAESR1TNKS2HPGDPDE4B
SCHEMBL20103119 0.81 PDE4B (0.44) LMNAESR1TNKS2PDE4BTNKS
SCHEMBL20118132 0.81 LMNA (0.46) LMNAESR1TNKS2HPGDPDE4B
SCHEMBL20103186 0.81 PDE4B (0.45) LMNAESR1TNKS2PDE4BTNKS
SCHEMBL18208145 0.80 MAP3K5 (0.44) HPGDPDE4BCRHR1CRHR2P2RX7
SCHEMBL18208148 0.80 MAP3K5 (0.44) HPGDPDE4BCRHR1CRHR2P2RX7

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