SCHEMBL22999969

SCHEMBL22999969

CN(C)/C=C1\C(=O)CCN(C2CN(C(=O)OC(C)(C)C)C2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.40
▸ CRBN Q96SW2 2/20 0.40
▸ FPR2 P25090 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ PIK3R1 P27986 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ USP30 Q70CQ3 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32

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
SCHEMBL22999615 0.90 TP53 (0.47) DDB1CRBNFPR2TP53KDM4E
SCHEMBL23021086 0.81 GPR119 (0.35) DDB1CRBNTP53MAPT
SCHEMBL22724565 0.76 FPR2 (0.43) DDB1CRBNFPR2TP53PIK3R1
SCHEMBL22206970 0.75 MAPT (0.44) TP53MAPTSMN1; SMN2
SCHEMBL22216336 0.75 MAPT (0.44) TP53MAPTSMN1; SMN2
SCHEMBL22206969 0.75 MAPT (0.44) TP53MAPTSMN1; SMN2
SCHEMBL4139626 0.73 USP2 (0.39) DDB1CRBNNR1H2KDM4EMAPT
SCHEMBL23907169 0.73 MAPT (0.53) TP53MAPTSMN1; SMN2
SCHEMBL23907167 0.73 MAPT (0.53) TP53MAPTSMN1; SMN2
SCHEMBL23907181 0.73 LMNA (0.49) TP53MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 — — WO disclosed
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 — — WO disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 — — EP disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 — — EP disclosed
Send feedback