SCHEMBL6237353

SCHEMBL6237353

FC(F)(F)c1cc(Nc2ncco2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.49
GRM4 Q14833 1/20 0.47
KDR P35968 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
MAPT P10636 2/20 0.43
PDK1 Q15118 1/20 0.43
FLT1 P17948 2/20 0.42
DHODH Q02127 1/20 0.42
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
ARNT P27540 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAP2K1 Q02750 1/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL6240725 0.84 TDO2 (0.51) GRM4KDR
SCHEMBL30041659 0.77 EPHX2 (0.48) KDRCDK2FLT1DHODH
SCHEMBL6237657 0.75 AURKA (0.57) RAPGEF4GRM4MEN1KMT2AALDH1A1
SCHEMBL15522254 0.74 RAPGEF4 (0.49) RAPGEF4GRM4KDRMEN1KMT2A
SCHEMBL6231959 0.74 RAPGEF4 (0.49) RAPGEF4GRM4
SCHEMBL13524613 0.72 GSK3B (0.55) RAPGEF4GRM4KDRMEN1KMT2A
SCHEMBL6233705 0.71 NOTUM (0.40) ALDH1A1DHODH
SCHEMBL11375683 0.70 NPC1 (0.56) RAPGEF4GRM4KDRMEN1KMT2A
SCHEMBL28744365 0.70 RAPGEF4 (0.58) RAPGEF4GRM4KDRMEN1KMT2A
SCHEMBL91480 0.70 CDK4 (0.49) RAPGEF4GRM4CDK4CDK2DHODH

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed