SCHEMBL19903870

SCHEMBL19903870

Cc1cnc2ncc(-c3ccc(C(=O)O)c(F)c3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.48
CDKL5 O76039 1/20 0.48
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AXL P30530 1/20 0.41
KMO O15229 2/20 0.40
RARB P10826 6/20 0.39
RARA P10276 5/20 0.39
RARG P13631 4/20 0.39
POLQ O75417 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
EPRS1 P07814 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A1 P68400 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
SCHEMBL1951819 0.75 MET (0.67) METCDKL5
SCHEMBL1951365 0.73 MET (0.59) METCDKL5
SCHEMBL13571906 0.73 MET (0.44) METCDKL5PIM1CSNK2A1PIM3
SCHEMBL1427684 0.72 MET (0.84) METCDKL5
SCHEMBL13572399 0.72 MET (0.58) METCDKL5
SCHEMBL19140260 0.72 MET (0.67) METCDKL5
SCHEMBL23559549 0.72 RARB (0.44) KDM4ESMN1; SMN2AXLKMORARB
Hydrochloric Acid SCHEMBL2379468 0.72 MET (0.82) METCDKL5
SCHEMBL23559593 0.72 KDM4E (0.48) METKDM4EAXLRARBRARA
SCHEMBL30039568 0.70 RARB (0.48) KDM4EAXLKMORARBRARA

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
EP-3287449-A2 SALTS OF 2-FLUORO-N-METHYL-4-[7-(QUINOLIN-6-YL-METHYL)- IMIDAZO[1,2-B][1,2,4]TRIAZIN-2-YL]BENZAMIDE AND PROCESSES RELATED TO PREPARING THE SAME Incyte Holdings Corporation (US) 2018-02-28 EP disclosed