SCHEMBL7738504

SCHEMBL7738504

CCC1(n2cnc3c(N)ncnc32)CCCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.66
PI4K2B Q8TCG2 10/20 0.66
PI4K2A Q9BTU6 10/20 0.66
PI4KB Q9UBF8 10/20 0.66
ADORA2A P29274 12/20 0.51
ADORA1 P30542 8/20 0.51
ADORA2B P29275 4/20 0.49
ADORA3 P0DMS8 3/20 0.45
SLC28A1 O00337 1/20 0.45
GMPS P49915 1/20 0.43

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
SCHEMBL9397052 0.83 PI4K2A (0.59) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL27438888 0.78 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10650083 0.72 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL23969763 0.69 PI4K2A (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10649999 0.69 PI4K2A (0.51) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL26972743 0.69 TAS1R3 (0.71) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL29588968 0.69 RET (0.48) PI4KAPI4K2BPI4K2API4KB
SCHEMBL9687602 0.69 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL9687595 0.69 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL1924594 0.68 ADORA2A (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A

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
CN-113544122-A Cyclopentyl nucleoside analogs as antiviral agents 詹森生物制药有限公司 2021-10-22 CN disclosed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 US disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed