SCHEMBL30443199

SCHEMBL30443199

COc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CREBBP Q92793 4/20 0.37
SPTLC1 O15269 1/20 0.36
NAMPT P43490 1/20 0.36
BRD4 O60885 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
NR1H2 P55055 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
P2RX3 P56373 2/20 0.35

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
SCHEMBL25202089 1.00 PIK3CD (0.39) PIK3CDDDB1CRBNCREBBPSPTLC1
SCHEMBL30442893 0.94 DDB1 (0.36) PIK3CDDDB1CRBNMKNK1NR1H2
SCHEMBL30442979 0.88 DDB1 (0.38) PIK3CDDDB1CRBNMKNK1NR1H2
SCHEMBL25236301 0.88 DDB1 (0.38) PIK3CDDDB1CRBNMKNK1NR1H2
SCHEMBL16210129 0.80 DDB1 (0.41) DDB1CRBNCREBBPSPTLC1BRD4
SCHEMBL31346312 0.78 JAK2 (0.39) PIK3CDNR1H2PIK3CAPIK3CBPIK3CG
SCHEMBL31623586 0.77 MAPT (0.38) PIK3CDMKNK1NR1H2PIK3CAPIK3CB
SCHEMBL31623665 0.76 GPR119 (0.38)
SCHEMBL31399617 0.76 GPR119 (0.36) PIK3CD
SCHEMBL34461310 0.74 DDB1 (0.41) DDB1CRBNCREBBPBRD4NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119053601-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-11-29 CN disclosed
EP-4430050-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-09-18 EP disclosed
WO-2023083286-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed