SCHEMBL17554667

SCHEMBL17554667

CN(Cc1ncccc1CCc1ccnc(Nc2ccc(N3CCCC3=O)cc2)n1)[SH](=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
PIP4K2A P48426 3/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
GAA P10253 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
HPGDS O60760 1/20 0.35
EGFR P00533 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TNKS O95271 1/20 0.34
FLT3 P36888 3/20 0.34
FFAR1 O14842 2/20 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
SCHEMBL668640 0.82 PTK2 (0.47) KDM4EMEN1MAPTKMT2AJAK2
SCHEMBL670106 0.79 PTK2 (0.51) KDM4EMEN1MAPTKMT2AMAPK8
SCHEMBL17554668 0.75 PTK2 (0.54) MAPK9MAPK10JAK2JAK3FLT3
SCHEMBL671026 0.70 PTK2 (0.50) JAK2JAK3
SCHEMBL669740 0.68 JAK2 (0.49) JAK2JAK3
SCHEMBL10125265 0.67 PTK2 (0.41) JAK2JAK3FFAR1FFAR4
SCHEMBL670088 0.67 PTK2 (0.44) JAK2JAK3
SCHEMBL17571817 0.66 RXFP1 (0.41) MEN1KMT2AGAAJAK2JAK3
SCHEMBL10125285 0.66 PTK2 (0.42) JAK2JAK3EGFR
SCHEMBL4375340 0.64 JAK2 (0.68) MAPK8PIP4K2CJAK2JAK1JAK3

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-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP claimed