SCHEMBL29332913

SCHEMBL29332913

CC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ P2RY1 P47900 5/20 0.59
▸ ENPP1 P22413 4/20 0.59
▸ P2RY2 P41231 3/20 0.57
▸ SRC P12931 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ DNPH1 O43598 1/20 0.57
▸ PRKAB2 O43741 1/20 0.57
▸ TRPM2 O94759 1/20 0.57
▸ LDHA P00338 1/20 0.57
▸ ADRB2 P07550 1/20 0.57
▸ FBP1 P09467 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ PRKAG1 P54619 1/20 0.57
▸ PRKAA2 P54646 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ PRKAA1 Q13131 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.57

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
SCHEMBL16374436 0.93 P2RY1 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL24538794 0.89 POLB (0.77) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL12963372 0.89 POLB (0.60) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL12932318 0.89 P2RX3 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL18879471 0.89 POLB (0.60) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL1062596 0.89 P2RX3 (0.66) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL22080063 0.85 POLB (0.59) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL24559514 0.85 POLB (0.59) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL18519971 0.84 POLB (0.52) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL6913685 0.82 POLB (0.75) POLBP2RY1ENPP1P2RY2SRC

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-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
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