SCHEMBL29261554

SCHEMBL29261554

NC(=O)Oc1ccc2c(c1)CCNC2=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 11/20 0.53
▸ PARP11 Q9NR21 10/20 0.53
▸ PARP1 P09874 3/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ GRM5 P41594 5/20 0.46
▸ GSK3B P49841 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42

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
SCHEMBL28724678 0.88 PARP10 (0.53) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL30832847 0.80 DRD2 (0.50) MEN1KMT2A
SCHEMBL31460423 0.80 PRSS1 (0.44) PARP10PARP11GRM5GSK3BMEN1
SCHEMBL8323443 0.78 GRM5 (0.67) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL379341 0.78 GRM5 (0.67) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL23160292 0.77 PARP10 (0.47) PARP10PARP11GRM5GSK3BMEN1
SCHEMBL29758907 0.77 PARP10 (0.47) PARP10PARP11GRM5GSK3BMEN1
SCHEMBL30421037 0.77 PARP10 (0.57) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL28724505 0.76 NTRK2 (0.46) GSK3BMEN1KMT2A
SCHEMBL6628767 0.76 MAOA (0.54) MEN1KMT2A

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-117946093-A Compounds useful as HPK1 inhibitors 深圳福沃药业有限公司 2024-04-30 — — CN disclosed
Send feedback