SCHEMBL12826084

SCHEMBL12826084

Cn1ncc2c(I)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
ALOX15 P16050 1/20 0.53
NSD2 O96028 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HAVCR2 Q8TDQ0 1/20 0.47
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL256211 0.78 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL25605061 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL13510 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL4379601 0.76 PI4KA (0.61) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL2822778 0.74 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL31175304 0.74 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL20276307 0.73 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL21851658 0.73 ALDH1A1 (0.58) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL21348442 0.73 SMN1; SMN2 (0.58) PI4KAPI4K2BPI4K2API4KBKDM4E
SCHEMBL12766976 0.73 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBKDM4E

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-2011023081-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2011-03-03 WO disclosed