SCHEMBL25263333

SCHEMBL25263333

Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
GPR119 Q8TDV5 9/20 0.52
MAPT P10636 2/20 0.51
SMO Q99835 1/20 0.50
ACHE P22303 2/20 0.49
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
CKS1B P61024 1/20 0.48
SKP1 P63208 1/20 0.48
SKP2 Q13309 1/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP4 P27487 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL29890873 0.86 PTPN11 (0.53) PTPN11GPR119MAPTACHECKS1B
SCHEMBL21551531 0.86 PTPN11 (0.53) PTPN11GPR119MAPTACHECKS1B
SCHEMBL30173624 0.85 ALDH1A1 (0.62) PTPN11GPR119MAPTSMOACHE
SCHEMBL25239083 0.85 ALDH1A1 (0.62) PTPN11GPR119MAPTSMOACHE
SCHEMBL24120762 0.85 GPR119 (0.53) PTPN11GPR119MAPTSMOACHE
SCHEMBL27046549 0.84 GPR119 (0.56) PTPN11GPR119MAPTACHECKS1B
SCHEMBL29890817 0.84 GPR119 (0.56) PTPN11GPR119MAPTACHECKS1B
SCHEMBL25230495 0.83 GPR119 (0.48) PTPN11GPR119MAPTSMOACHE
SCHEMBL30173612 0.83 GPR119 (0.48) PTPN11GPR119MAPTSMOACHE
SCHEMBL21159159 0.83 GPR119 (0.60) PTPN11GPR119MAPTACHECKS1B

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-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 WO disclosed