SCHEMBL4612335

SCHEMBL4612335

Brc1ccn(Nc2cccnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PKM P14618 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
P2RX4 Q99571 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
NAMPT P43490 2/20 0.35
MAP4K4 O95819 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL28065822 0.75 MAP4K4 (0.42) CYP11B2PKMNPC1RAB9ACFTR
SCHEMBL27747847 0.72 FDPS (0.40) CYP11B2PKMNPC1RAB9ACFTR
SCHEMBL9469956 0.71 NPC1 (0.43) CYP11B2PKMNPC1RAB9ACFTR
SCHEMBL2691034 0.67 CYP2A6 (0.49) HTT
SCHEMBL27949708 0.66
SCHEMBL5266703 0.66
SCHEMBL578708 0.65
SCHEMBL29793056 0.65 KIF11 (0.60) PKMNPC1RAB9ACFTRGOPC
SCHEMBL1368828 0.65 KIF11 (0.60) PKMNPC1RAB9ACFTRGOPC
SCHEMBL7096492 0.65 CHRNB2 (0.44) PKMNPC1RAB9ACFTRGOPC

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-1912959-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-23 EP disclosed
WO-2007016228-A2 5-SUBSTITUTED THIAZOL-2-YL AMINO COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-08 WO disclosed