SCHEMBL30874854

SCHEMBL30874854

NC(=O)C1CCCN1C(=O)Cc1cccn2c(=O)[nH]nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.40
▸ HTR1A P08908 13/20 0.39
▸ HTR7 P34969 13/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ LTK P29376 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MET P08581 1/20 0.37
▸ GRK5 P34947 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ MST1R Q04912 1/20 0.37

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
SCHEMBL30874919 0.74 DPP4 (0.45) DPP4HTR1AHTR7VNN1
SCHEMBL30874925 0.74 HTR1A (0.41) DPP4HTR1AHTR7
SCHEMBL26832953 0.74 TACR1 (0.40) —
SCHEMBL26837043 0.74 TACR1 (0.46) —
SCHEMBL26841467 0.73 TACR1 (0.42) —
SCHEMBL24665999 0.73 LTK (0.54) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL30874956 0.70 HTR1A (0.46) DPP4HTR1AHTR7
SCHEMBL16496604 0.70 HTR1A (0.43) DPP4HTR1AHTR7
SCHEMBL30874842 0.70 PREP (0.46) DPP4VNN1
SCHEMBL2177077 0.69 DPP4 (0.57) DPP4HTR1AHTR7

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-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
Send feedback