SCHEMBL23679662

SCHEMBL23679662

Nc1ncnc2c1ncn2C1CCC(COP(=O)(S)O[C@H]2CC(n3c(=O)sc4c(N)nc(Cl)nc43)OC2COP(=O)(O)S)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ENPP1 P22413 3/20 0.40
▸ P2RY1 P47900 2/20 0.40
▸ FHIT P49789 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
▸ SRC P12931 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RY2 P41231 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
SCHEMBL20763160 0.87 POLB (0.54) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22352121 0.87 POLB (0.54) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL23679530 0.85 POLB (0.44) NT5EPOLBENPP1P2RY1FHIT
SCHEMBL23679618 0.83 NT5E (0.44) NT5EPOLBENPP1P2RY1FHIT
SCHEMBL16410980 0.82 POLB (0.47) POLBENPP1P2RY1
SCHEMBL21539899 0.82 ALDH1A1 (0.49) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22434567 0.82 POLB (0.51) POLBENPP1P2RY1P2RY2
SCHEMBL16221597 0.82 POLB (0.51) POLBENPP1P2RY1P2RY2
SCHEMBL20326935 0.82 POLB (0.51) POLBENPP1P2RY1P2RY2
SCHEMBL23679485 0.82 NT5E (0.47) NT5EPOLBENPP1P2RY1FHIT

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