SCHEMBL20172011

SCHEMBL20172011

N#Cc1ccc(CCCc2ncc(C#CCCCO)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.41
CDK1 P06493 6/20 0.41
MERTK Q12866 1/20 0.39
FLT3 P36888 1/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
SIRT5 Q9NXA8 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
STAT6 P42226 1/20 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
SCHEMBL20171970 0.83 MERTK (0.51) KDRCDK1MERTKFLT3EGFR
SCHEMBL20171967 0.74 SYK (0.51) KDRCDK1MERTKFLT3EGFR
SCHEMBL15584131 0.69 FLT3 (0.60) KDRCDK1MERTKFLT3ABCG2
SCHEMBL20171959 0.65 KDR (0.38) KDRCDK1FLT3ALDH1A1SMN1; SMN2
SCHEMBL15585214 0.65 SYK (0.52) FLT3NPC1RAB9A
SCHEMBL16450162 0.65 SYK (0.58) FLT3NPC1RAB9A
SCHEMBL7395296 0.63 GABRP (0.47) ALDH1A1CYP11B1CYP11B2
SCHEMBL7030337 0.63 TSHR (0.46) CYP11B1CYP11B2
SCHEMBL81846 0.63 TSHR (0.55) CYP11B1CYP11B2
SCHEMBL20172044 0.63 FLT3 (0.54) KDRCDK1MERTKFLT3ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323811-B1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2019-05-08 EP disclosed
EP-3323811-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM Corporation (JP) 2018-05-23 EP disclosed