SCHEMBL3328520

SCHEMBL3328520

Nc1nc(Br)nc2[nH]cnc12.Nc1nc(F)nc2[nH]cnc12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CSNK2A2 P19784 1/20 0.31
RAB9A P51151 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KMT2A Q03164 1/20 0.31
DYRK1A Q13627 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
AHCY P23526 1/20 0.30

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
SCHEMBL11977311 0.90 GDA (0.33) AHCY
SCHEMBL497198 0.90 KMT2A (0.36) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
SCHEMBL8850 0.90 GDA (0.33) AHCY
Isoguanine SCHEMBL887740 0.72 PARP1 (0.36) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
SCHEMBL533602 0.71 MEN1 (0.39) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
SCHEMBL2526551 0.71 PARP1 (0.32) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
2,6-Diaminopurine SCHEMBL24052 0.71 GDA (0.48)
SCHEMBL3328527 0.71 PDPK1 (0.54)
2,6-Diaminopurine SCHEMBL6423146 0.70 GDA (0.47)
2,6-Diaminopurine SCHEMBL8757968 0.70 GDA (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137576-A1 5' O [(N ACYL)AMIDOPHOSPHATE] AND 5' O [(N ACYL)AMIDOTHIOPHOSPHATE] AND 5' O [(N ACYL)AMIDODITHIOPHOSPHATE] AND 5' O [(N ACYL)AMIDOSELENOPHOSPHATE] DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF CENTRUM BADAN MILEKULARNYCHI MAKROMOLEKULARNYCH, P (PL) 2010-06-03 US claimed
EP-2097430-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[N- ACYL)AMIDOSELENOPHOSPHATE-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF Centrum Badan Molekularnych I Makromolekularnych Pan (PL) 2009-09-09 EP claimed
WO-2008048128-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[(N- ACYL)AMIDOSELENOPHOSPHATE]-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH, POLSKIEJ AKADEMII NAUK (PL) 2008-04-24 WO claimed