SCHEMBL10272161

SCHEMBL10272161

CC[C@@H](Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)c(=O)[nH]1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.64
AURKA O14965 2/20 0.45
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GRM4 Q14833 1/20 0.39
TNIK Q9UKE5 1/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
ALOX5 P09917 2/20 0.38

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
SCHEMBL2719439 0.91 SYK (0.53) SYKAURKA
SCHEMBL2719432 0.91 SYK (0.53) SYKAURKA
SCHEMBL10271736 0.88 SYK (0.51) SYKTSHRHSD17B10MEN1NPC1
SCHEMBL10271839 0.86 SYK (0.49) SYKAURKAALDH1A1CYP1A2CYP3A4
SCHEMBL10271914 0.84 SYK (0.51) SYK
SCHEMBL2716305 0.84 SYK (0.46) SYKAURKAALDH1A1CYP1A2CYP3A4
SCHEMBL10271830 0.83 SYK (0.55) SYKBTK
SCHEMBL2720146 0.82 SYK (0.44) SYK
SCHEMBL2718864 0.82 SYK (0.44) SYK
SCHEMBL10272160 0.82 SYK (0.44) SYK

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-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed