SCHEMBL23679565

SCHEMBL23679565

Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](COP(=O)(O)S)CC1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMD1 P17707 1/20 0.42
▸ DTYMK P23919 4/20 0.40
▸ PARG Q86W56 1/20 0.39
▸ P2RY1 P47900 4/20 0.38
▸ P2RY2 P41231 3/20 0.38
▸ SRC P12931 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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
SCHEMBL23679569 0.83 POLB (0.49) DTYMKP2RY1TRPM2POLBENPP1
SCHEMBL29328769 0.83 AMD1 (0.38) AMD1DTYMKP2RY1P2RY2SRC
SCHEMBL23679576 0.81 DTYMK (0.36) AMD1DTYMKPARGP2RY1POLB
SCHEMBL29331768 0.79 DTYMK (0.44) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20763149 0.79 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22351931 0.79 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29327697 0.79 P2RY1 (0.59) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL21896050 0.77 DTYMK (0.47) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL16871807 0.76 POLB (0.53) DTYMKP2RY1TRPM2POLBENPP1
SCHEMBL8979286 0.76 POLB (0.53) DTYMKP2RY1TRPM2POLBENPP1

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
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
Send feedback