SCHEMBL31210796

SCHEMBL31210796

COc1nc2c(C(=O)Nc3cc(F)c4nc(C)cn4c3)ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)c2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.38
▸ SUV39H2 Q9H5I1 10/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ ADORA2A P29274 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
SCHEMBL31211475 0.88 ENPP1 (0.39) ENPP1ADORA2A
SCHEMBL31211252 0.87 PTPN11 (0.39) USP30
SCHEMBL25105311 0.86 ENPP1 (0.37) ENPP1ADORA2A
SCHEMBL25105375 0.85 USP30 (0.39) ENPP1SUV39H2PARP1USP30CKS1B
SCHEMBL31210572 0.84 WDR5 (0.34) ENPP1USP30ADORA2A
SCHEMBL31210868 0.84 ALDH1A1 (0.39) ENPP1CCNE1CDK2ADORA2A
SCHEMBL31210839 0.82 SMPD3 (0.40) SUV39H2USP30
SCHEMBL25105563 0.82 SMPD3 (0.40) SUV39H2USP30
SCHEMBL29267155 0.82 USP30 (0.39) ENPP1SUV39H2PARP1USP30CKS1B
SCHEMBL25103828 0.82 BCL6 (0.35) ENPP1

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-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
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