SCHEMBL30041002

SCHEMBL30041002

Nc1nnc(Cl)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.55
PARP11 Q9NR21 9/20 0.55
MAPK1 P28482 1/20 0.53
MAPKAPK2 P49137 6/20 0.47
GSK3B P49841 1/20 0.46
GRM5 P41594 2/20 0.44
MAPK9 P45984 1/20 0.44
F7 P08709 1/20 0.43
PARP1 P09874 1/20 0.43
F3 P13726 1/20 0.43

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
SCHEMBL27157851 1.00 PARP10 (0.55) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL29964561 0.79 PARP10 (0.52) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL31079103 0.77 PARP10 (0.55) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL8167365 0.77 PARP11 (0.68) PARP10PARP11MAPKAPK2GSK3BGRM5
SCHEMBL29750194 0.76 PARP11 (0.59) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL30040603 0.76 MAPK1 (0.48) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL27157528 0.76 MAPK1 (0.48) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL18123077 0.76 MAPK1 (0.63) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL29914451 0.76 MAPK1 (0.63) PARP10PARP11MAPK1MAPKAPK2GSK3B
SCHEMBL12077798 0.76 MAPK1 (0.63) PARP10PARP11MAPK1MAPKAPK2GSK3B

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
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
WO-2022226666-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed