SCHEMBL26070944

SCHEMBL26070944

Nc1[nH]nnc1-c1cccc(OCCN2CCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
PDK2 Q15119 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAK O14976 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
NQO2 P16083 1/20 0.40
CSNK2A2 P19784 1/20 0.40
FECH P22830 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 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
SCHEMBL26070946 0.95 POLB (0.48) POLBPDK2MEN1KMT2ANPC1
SCHEMBL18006351 0.86 POLB (0.55) POLBPDK2MEN1KMT2ANPC1
SCHEMBL18006352 0.81 POLB (0.49) POLBPDK2NPC1GAKDYRK3
SCHEMBL26071029 0.79 FFAR1 (0.39)
SCHEMBL2227579 0.78 POLB (0.69) POLBPDK2MEN1KMT2ANPC1
SCHEMBL5381833 0.74 CLK2 (0.75) POLBPDK2MEN1KMT2AGAK
SCHEMBL26070907 0.73 NFE2L2 (0.47)
SCHEMBL26071070 0.73 SMN1; SMN2 (0.45) MEN1KMT2A
SCHEMBL15075237 0.73 POLB (0.69) POLBPDK2MEN1KMT2ANPC1
SCHEMBL13096997 0.73 POLB (0.73) POLBPDK2MEN1KMT2ANPC1

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed