SCHEMBL28019402

SCHEMBL28019402

Nc1ncnc2[nH]c(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.44
PI4K2B Q8TCG2 4/20 0.44
PI4K2A Q9BTU6 4/20 0.44
PI4KB Q9UBF8 4/20 0.44
RET P07949 3/20 0.44
LRRK2 Q5S007 2/20 0.44
XDH P47989 1/20 0.44
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ERAP1 Q9NZ08 1/20 0.39
PRMT5 O14744 1/20 0.39
BRAF P15056 2/20 0.39
TNNI3K Q59H18 2/20 0.39
MAP4K4 O95819 6/20 0.34
LIMK1 P53667 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL3490382 0.78 AURKA (0.39) BRAFTNNI3KCHEK1AURKA
SCHEMBL29538720 0.78 AURKA (0.39) BRAFTNNI3KCHEK1AURKA
SCHEMBL6424611 0.75 TRPA1 (0.45) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL30589329 0.75 TRPA1 (0.45) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL23885471 0.73 BRAF (0.39) BRAFTNNI3K
SCHEMBL30052556 0.73 BRAF (0.39) BRAFTNNI3K
SCHEMBL22524176 0.71 RET (0.40) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL30248822 0.71 RET (0.40) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL25449356 0.71 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL21481681 0.71 HTT (0.46)

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
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed