SCHEMBL28046667

SCHEMBL28046667

NC(=O)c1cc2ccc(-c3ccc(Cl)c(Cl)c3)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.42
CHEK2 O96017 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ABL1 P00519 3/20 0.40
NUDT1 P36639 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
EIF4E P06730 1/20 0.38

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
SCHEMBL28046664 0.86 MAP4K4 (0.46) KMOCHEK2MAPTNUDT1CCNC
SCHEMBL28046684 0.81 KMO (0.44) KMOGAAMAPTNUDT1MEN1
SCHEMBL28046677 0.81 ALPL (0.45) CHEK2MAPTCCNCCDK8
SCHEMBL28046609 0.81 CASP1 (0.43) CHEK2NUDT1
SCHEMBL28046616 0.81 PARP1 (0.47) CHEK2KDM4ENPC1RAB9A
SCHEMBL28046611 0.79 MAPT (0.54) KDM4EPOLBGAAMAPTMEN1
SCHEMBL28046610 0.77 ROCK2 (0.54) KDM4EGAAMAPTMEN1NPC1
SCHEMBL28046665 0.77 HPGDS (0.51) KMOCHEK2KDM4EMAPTNUDT1
SCHEMBL28046612 0.77 DHODH (0.46) KMONUDT1
SCHEMBL28046613 0.76 CDK5 (0.41) CHEK2KDM4ENPC1RAB9A

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
CN-105294688-A 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof UNIV BEIJING TECHNOLOGY 2016-02-03 CN disclosed