SCHEMBL30362890

SCHEMBL30362890

O=C1NCCc2c(F)cc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 12/20 0.53
▸ PARP1 P09874 7/20 0.53
▸ PARP11 Q9NR21 9/20 0.49
▸ CDK2 P24941 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ CDC7 O00311 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ PDPK1 O15530 1/20 0.38

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
SCHEMBL18304941 1.00 PARP10 (0.53) PARP10PARP1PARP11CDK2ACHE
SCHEMBL17141660 0.81 CLK4 (0.46) PARP10PARP1PARP11GRM5
SCHEMBL28032373 0.81 PARP10 (0.51) PARP10PARP1PARP11CDK2ACHE
SCHEMBL23951998 0.77 PARP10 (0.56) PARP10PARP1PARP11CDK2ACHE
SCHEMBL1725137 0.77 PARP10 (0.51) PARP10PARP1PARP11RAF1MAPK1
SCHEMBL30197872 0.77 PARP10 (0.56) PARP10PARP1PARP11CDK2ACHE
SCHEMBL32669451 0.77 PARP10 (0.44) PARP10PARP1PARP11CDK2ACHE
SCHEMBL4816505 0.76 SRD5A1 (0.36) PARP10PARP1PARP11RAF1MAPK1
SCHEMBL29776117 0.76 SRD5A1 (0.36) PARP10PARP1PARP11RAF1MAPK1
SCHEMBL21333626 0.73 FABP6 (0.48) PARP10PARP1PARP11RAF1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 — — WO disclosed
CN-110294742-B Fused ring ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2023-01-31 — — CN disclosed
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