SCHEMBL22787642

SCHEMBL22787642

Cc1nc(N)c2cnn(I)c2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DYRK1A Q13627 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
SCHEMBL4409891 0.79 PI4KA (0.55) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24659480 0.76 CYP1A2 (0.39) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24500614 0.75 KDM4E (0.42) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23059278 0.71 PDE2A (0.36) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5011669 0.71 KDM4E (0.59) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL19711588 0.70 ADORA1 (0.35) ADORA2AADORA1HSD17B10TLR7DYRK1A
SCHEMBL23059275 0.70 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5007676 0.70 XDH (0.48) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL23059283 0.70 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23059277 0.70 ADORA2A (0.33) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
WO-2020250123-A1 PRMT5 INHIBITORS LUPIN LIMITED (IN) 2020-12-17 WO disclosed