SCHEMBL24968928

SCHEMBL24968928

Cc1cnc(N2CCN(C(=O)OC(C)Cc3c[nH]c(=O)c(C(F)(F)F)c3)CC2C)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.40
KCNH2 Q12809 2/20 0.38
TIPARP Q7Z3E1 1/20 0.35
MMP2 P08253 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
WDR5 P61964 1/20 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
SCHEMBL24968321 0.94 GPR119 (0.40) GPR119KCNH2TIPARP
SCHEMBL24968911 0.94 GPR119 (0.40) GPR119KCNH2TIPARP
SCHEMBL24968944 0.94 GPR119 (0.40) GPR119KCNH2TIPARP
SCHEMBL24968505 0.92 GPR119 (0.39) GPR119KCNH2MMP2MMP14ADAMTS5
SCHEMBL24968906 0.88 GPR119 (0.37) GPR119TIPARPWDR5
SCHEMBL24968926 0.88 GPR119 (0.37) GPR119TIPARPWDR5
SCHEMBL24968909 0.88 GPR119 (0.37) GPR119TIPARPWDR5
SCHEMBL24968245 0.88 GPR119 (0.37) GPR119TIPARPWDR5
SCHEMBL24968304 0.87 TIPARP (0.42) TIPARP
SCHEMBL24968907 0.87 TIPARP (0.42) TIPARP

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed