SCHEMBL30720809

SCHEMBL30720809

CC1(C)OB(c2ccc3c(c2)CCNC3=O)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.54
PARP11 Q9NR21 10/20 0.54
PARP1 P09874 3/20 0.44
PDPK1 O15530 1/20 0.44
GRM5 P41594 7/20 0.44
KDM4E B2RXH2 1/20 0.42
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40

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
SCHEMBL1636716 1.00 PARP10 (0.54) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL29964464 0.92 PARP11 (0.44) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL12077902 0.92 PARP11 (0.44) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL29676875 0.89 PARP10 (0.54) PARP10PARP11PARP1PDPK1KDM4E
SCHEMBL2052209 0.89 PARP10 (0.54) PARP10PARP11PARP1PDPK1KDM4E
SCHEMBL12078239 0.86 PARP10 (0.38) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL274197 0.86 ROCK1 (0.43) GRM5
SCHEMBL15570438 0.84 PARP10 (0.49) PARP10PARP11PARP1PDPK1KDM4E
SCHEMBL12077888 0.82 LPL (0.37) PARP10PARP11
SCHEMBL204451 0.80 LPL (0.46)

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
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 CN disclosed