SCHEMBL18567682

SCHEMBL18567682

Cn1cnc2c(NC(=O)c3csc4cnc(N5CCOCC5)nc34)cccc21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.63
PTPN11 Q06124 1/20 0.43
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IRAK4 Q9NWZ3 4/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
WDR5 P61964 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL10280869 0.82 SYK (0.72) SYKIRAK4
SCHEMBL18567678 0.82 SYK (0.79) SYKIRAK4
SCHEMBL359156 0.82 SYK (0.71) SYKIRAK4
SCHEMBL19265946 0.81 SYK (0.81) SYKIRAK4
SCHEMBL15100740 0.77 SYK (1.00) SYKIRAK4
SCHEMBL15096924 0.77 SYK (0.98) SYK
SCHEMBL15100739 0.77 SYK (1.00) SYKIRAK4
SCHEMBL15096928 0.77 SYK (0.89) SYKIRAK4
Hydrochloric Acid SCHEMBL18543513 0.76 SYK (1.00) SYK
SCHEMBL18567591 0.76 SYK (0.58) SYKPTPN11IRAK4TP53MAPT

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
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed