SCHEMBL30079439

SCHEMBL30079439

Cn1cc2c(n1)NC(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
GPR119 Q8TDV5 8/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCD Q05655 1/20 0.42
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
FPR2 P25090 1/20 0.40
NAMPT P43490 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30079239 0.96 HCAR1 (0.46) DDB1CRBNGPR119TP53KDM4E
SCHEMBL30079196 0.94 USP30 (0.42) DDB1CRBNGPR119TP53KDM4E
SCHEMBL30079289 0.83 DDB1 (0.43) DDB1CRBNGPR119TP53KDM4E
SCHEMBL2209530 0.80 IDH1 (0.52) DDB1CRBNGPR119TP53KDM4E
SCHEMBL1813251 0.78 MAPT (0.49) DDB1CRBNGPR119TP53KDM4E
SCHEMBL2604336 0.77 CALCRL (0.58) NAMPT
SCHEMBL3963958 0.76 KDM4E (0.44) DDB1CRBNGPR119TP53KDM4E
SCHEMBL24895522 0.75 MAPT (0.48) DDB1CRBNTP53KDM4EMAPT
SCHEMBL5088976 0.74 FPR2 (0.50) DDB1CRBNTP53KDM4EMAPT
SCHEMBL3256867 0.73 GPR119 (0.48) DDB1CRBNGPR119TP53CTSD

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-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 EP disclosed