SCHEMBL30713632

SCHEMBL30713632

CCCCC(=O)Oc1c[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.49
CDC7 O00311 3/20 0.47
ROCK2 O75116 3/20 0.47
PRKACA P17612 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
CDK8 P49336 2/20 0.47
CLK2 P49760 2/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
CSNK1A1 P48729 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
MTNR1A P48039 1/20 0.44
MAP4K4 O95819 2/20 0.43
CDK2 P24941 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
DAPK3 O43293 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
SCHEMBL30684499 0.87 MAP2K1 (0.54) MAP2K1CDC7ROCK2PRKACACLK4
SCHEMBL27583281 0.80 MAP2K1 (0.49) MAP2K1CDC7ROCK2PRKACACLK4
SCHEMBL2511843 0.79 SLC22A6 (0.58) MAP2K1CDC7DYRK1AKMT2AKDM4E
SCHEMBL10599504 0.79 SLC22A6 (0.61) KMT2AKDM4EMEN1RECQLMTNR1A
SCHEMBL1558087 0.78 MAP2K1 (0.55) MAP2K1CDC7KMT2AMTNR1ACDK2
SCHEMBL6225557 0.76 MAP2K1 (0.54) MAP2K1CDC7PRKACACLK4CDK8
SCHEMBL28258881 0.75 SLC22A6 (0.60) KMT2AKDM4EMEN1RECQLMTNR1A
SCHEMBL1558071 0.74 MAP2K1 (0.51) MAP2K1CDC7ROCK2PRKACACLK4
SCHEMBL29000165 0.74 SLC22A6 (0.58) KMT2AKDM4EMEN1RECQLMTNR1A
SCHEMBL4558873 0.74 SLC22A6 (0.58) KMT2AKDM4EMEN1RECQLMTNR1A

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-117295746-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2023-12-26 CN disclosed