SCHEMBL2865418

SCHEMBL2865418

O=C1C=c2c(Nc3c(Cl)cc(S(=O)(=O)NCCN4CCCC4)cc3Cl)nc3ccc(F)cc3c2=C[N]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.39
PDGFRB P09619 3/20 0.39
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ABL1 P00519 2/20 0.36
YES1 P07947 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 3/20 0.35
HTR6 P50406 3/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 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
SCHEMBL2867090 0.83 JAK2 (0.34) PDK1PDK2PDK3PDK4
SCHEMBL2856300 0.82 TDO2 (0.37)
SCHEMBL2867747 0.81 JAK2 (0.46) KDR
SCHEMBL3502736 0.80 JAK2 (0.50) SRCPDGFRBABL1
SCHEMBL2858032 0.70 JAK2 (0.44) KDR
Hydrochloric Acid SCHEMBL10847021 0.63 SIGMAR1 (0.71) SIGMAR1HTR2AHTR7TP53MAPK1
SCHEMBL3502735 0.62 JAK2 (0.54) KCNH2
SCHEMBL3499488 0.61 JAK2 (0.53) KCNH2
SCHEMBL6254943 0.60 SIGMAR1 (0.64) SIGMAR1HTR2AHTR7TP53MAPK1
SCHEMBL2859344 0.59 MAPT (0.43) TP53MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed