SCHEMBL2306216

SCHEMBL2306216

CCCCC(N)Cc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.46
▸ PDPK1 O15530 1/20 0.45
▸ GDA Q9Y2T3 1/20 0.45
▸ CDK1 P06493 8/20 0.45
▸ CCNB1 P14635 8/20 0.45
▸ CCNA2 P20248 7/20 0.45
▸ CDK2 P24941 7/20 0.45
▸ CCNA1 P78396 7/20 0.45
▸ PIN1 Q13526 1/20 0.45
▸ XDH P47989 6/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ PI4K2B Q8TCG2 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.36

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
SCHEMBL25860 0.80 PDPK1 (0.53) POLA1PDPK1GDACDK1CCNB1
SCHEMBL29384383 0.80 PDPK1 (0.53) POLA1PDPK1GDACDK1CCNB1
SCHEMBL1074970 0.80 POLA1 (0.57) POLA1PDPK1GDACDK1CCNB1
SCHEMBL2306213 0.79 CDK1 (0.32) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL30610405 0.78 CDK1 (0.53) POLA1PDPK1GDACDK1CCNB1
SCHEMBL29514836 0.77 PDPK1 (0.56) POLA1PDPK1GDACDK1CCNB1
SCHEMBL29592683 0.77 PDPK1 (0.59) POLA1PDPK1GDACDK1CCNB1
SCHEMBL1982409 0.76 PDPK1 (0.51) POLA1PDPK1GDACDK1CCNB1
SCHEMBL2402087 0.76 PDPK1 (0.51) POLA1PDPK1GDACDK1CCNB1
SCHEMBL30150749 0.73 PDPK1 (0.51) POLA1PDPK1GDACDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349315-A1 REGULATION OF LYMPHOCYTES AND USES THEREFOR University of Miami (US) 2011-08-03 — — EP disclosed
WO-2010042697-A1 REGULATION OF LYMPHOCYTES AND USES THEREFOR UNIVERSITY OF MIAMI (US) 2010-04-15 — — WO disclosed
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