SCHEMBL30856593

SCHEMBL30856593

Cn1nc(C(F)(F)F)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
POLB P06746 1/20 0.40
MAPK8 P45983 3/20 0.39
DYRK3 O43781 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
DYRK1A Q13627 1/20 0.39
NTRK3 Q16288 1/20 0.39
PIM3 Q86V86 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
GRM4 Q14833 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL30204348 0.87 GRM4 (0.44) NT5EPOLBMAPK8DYRK3PIM1
SCHEMBL28888965 0.82 MAPK8 (0.41) MAPK8MAPTGAASMN1; SMN2NPSR1
SCHEMBL15730377 0.81 SSTR4 (0.48) POLBMAPK8DYRK3PIM1MAPK9
SCHEMBL29195479 0.80 POLB (0.46) POLBMAPK8DYRK3PIM1MAPK9
SCHEMBL30856615 0.80 POLB (0.46) POLBMAPK8DYRK3PIM1MAPK9
SCHEMBL23467043 0.80 NT5E (0.38) NT5EMAPK8MAPTALDH1A1MEN1
SCHEMBL13106482 0.77 MAPK8 (0.41) POLBMAPK8MAPTL3MBTL1LMNA
SCHEMBL25446307 0.76 NT5E (0.38) NT5EKDM4EALDH1A1MEN1HTT
SCHEMBL1336984 0.75 ADORA2A (0.59) MAPK8MAPTKDM4ENPC1GRM4
SCHEMBL15730345 0.75 POLB (0.51) POLBMAPTKDM4EGRM4ALDH1A1

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-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed