SCHEMBL17690604

SCHEMBL17690604

CCc1nc(C(N)=O)c(Nc2cccc([SH](=O)=O)c2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 8/20 0.45
ALK Q9UM73 8/20 0.45
EGFR P00533 3/20 0.37
SYK P43405 4/20 0.37
AXL P30530 3/20 0.36
ETV6 P41212 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 1/20 0.36
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35
FLT3 P36888 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
SCHEMBL27865329 0.85 EML4 (0.44) EML4ALKEGFRSYKAXL
SCHEMBL328322 0.84 PRKCQ (0.48) EML4ALKEGFRSYK
SCHEMBL25808819 0.81 SYK (0.47) EML4ALKEGFRSYKRET
SCHEMBL30300923 0.81 SYK (0.47) EML4ALKEGFRSYKRET
SCHEMBL283230 0.81 EML4 (0.66) EML4ALKSYKMEN1KMT2A
SCHEMBL328224 0.79 EML4 (0.41) EML4ALKSYKRETROS1
SCHEMBL10127324 0.78 EML4 (0.39) EML4ALKEGFRSYKAXL
SCHEMBL10127274 0.78 MAPKAPK2 (0.43) EML4ALKMEN1KMT2A
SCHEMBL26690230 0.78 EML4 (0.42) EML4ALKSYKMEN1KMT2A
SCHEMBL10127286 0.77 MAPT (0.45) EML4ALKEGFRSYKMEN1

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-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed