SCHEMBL20042695

SCHEMBL20042695

Cc1nc2c(c(N3CC[C@H]3C)n1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.41
GPR119 Q8TDV5 6/20 0.38
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
KMT2A Q03164 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
C5AR1 P21730 1/20 0.35
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL20042746 1.00 MTOR (0.41) MTORGPR119PARP1TNKS2PARP2
SCHEMBL31614795 0.81 MTOR (0.47) MTORGPR119PARP1TNKS2PARP2
SCHEMBL20042670 0.81 MTOR (0.47) MTORGPR119PARP1TNKS2PARP2
SCHEMBL29182037 0.80 MTOR (0.39) MTORGPR119PARP1TNKS2PARP2
SCHEMBL30118094 0.80 MTOR (0.39) MTORGPR119PARP1TNKS2PARP2
SCHEMBL24837469 0.80 MTOR (0.39) MTORGPR119PARP1TNKS2PARP2
SCHEMBL27191286 0.80 MTOR (0.39) MTORGPR119PARP1TNKS2PARP2
SCHEMBL20608461 0.78 C5AR1 (0.39) MTORGPR119PARP1TNKS2PARP2
SCHEMBL31016562 0.76 C5AR1 (0.39) MTORGPR119PARP1TNKS2PARP2
SCHEMBL20042662 0.76 C5AR1 (0.39) MTORGPR119PARP1TNKS2PARP2

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed