SCHEMBL7900247

SCHEMBL7900247

CCC(=O)NC(O)[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.43
▸ P2RX1 P51575 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ PRMT5 O14744 4/20 0.41
▸ WDR77 Q9BQA1 4/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ AMD1 P17707 2/20 0.38
▸ TYMP P19971 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
SCHEMBL11889979 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1798669 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5672711 0.78 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1757060 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL91054 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL7735012 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395424 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12629188 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21882960 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1795588 0.78 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37045-E1 N-6 substituted-5′-(N-substituted carboxamide)adenosines as cardiac vasodilator and antihypertensive agents DISCOVERY THERAPEUTICS, INC. 2001-02-06 — — US disclosed
US-5310731-A N-6 substituted-5'-(N-substitutedcarboxamido)adenosines as cardiac vasodilators and antihypertensive agents WHITBY RESEARCH, INC. (US) 1994-05-10 — — US disclosed
EP-0191025-B1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS Whitby Research Incorporated (US) 1990-03-07 — — EP disclosed
EP-0191025-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS. NELSON RES & DEV (US) 1986-08-20 — — EP disclosed
WO-1986000310-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1986-01-16 — — WO disclosed
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