SCHEMBL1442019

SCHEMBL1442019

O=C(O)N1CC[C@@H](n2ccc3c(Cl)ncnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
SRC P12931 3/20 0.38
EGFR P00533 1/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
PIP4K2A P48426 1/20 0.36
FGFR1 P11362 3/20 0.35
FGFR4 P22455 3/20 0.35
MEN1 O00255 1/20 0.35
BTK Q06187 1/20 0.35
NNMT P40261 4/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL1940586 0.94 SLC22A12 (0.41) SLC22A12PRMT5WDR77GPR119PIP4K2A
SCHEMBL16492419 0.93 EGFR (0.39) SLC22A12EGFRPRMT5WDR77PIP4K2A
SCHEMBL9950465 0.84 SRC (0.54) SRCEGFRGPR119
SCHEMBL515118 0.84 SRC (0.54) SRCEGFRGPR119
SCHEMBL16967987 0.79 PIP4K2A (0.49) SLC22A12SRCPRMT5WDR77PIP4K2A
SCHEMBL514777 0.79 GPR119 (0.43) GPR119PIP4K2A
SCHEMBL515111 0.79 GPR119 (0.57) SRCEGFRGPR119
SCHEMBL12649114 0.79 PIP4K2A (0.42) SLC22A12PRMT5WDR77GPR119PIP4K2A
SCHEMBL26119378 0.79 GPR119 (0.39) SRCEGFRPRMT5WDR77GPR119
SCHEMBL13861581 0.78 SRC (0.48) SRCEGFRGPR119BTK

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-2475668-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-07-18 EP disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 WO disclosed