SCHEMBL20037584

SCHEMBL20037584

CNc1ccc(N2CCN[C@H](C)C2=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A3 Q01959 5/20 0.45
ATM Q13315 1/20 0.42
CDK4 P11802 9/20 0.36
CCND1 P24385 6/20 0.36
CDK6 Q00534 4/20 0.36
CCND3 P30281 3/20 0.36
CCNT1 O60563 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
GRM2 Q14416 2/20 0.34
HCAR3 P49019 1/20 0.34
KCNH2 Q12809 1/20 0.34
NNMT P40261 1/20 0.33
CDK2 P24941 3/20 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
SCHEMBL20037580 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ATMKCNH2
SCHEMBL18291715 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL18291688 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL20255248 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL20038067 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL20249225 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL20249231 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL18291586 0.75 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3ATMKCNH2
SCHEMBL13920514 0.74 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL20038339 0.74 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ATM

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed