SCHEMBL25428682

SCHEMBL25428682

Brn1cnc2ccc(N3CCN(C4COC4)CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.36
SYK P43405 7/20 0.36
JAK2 O60674 5/20 0.36
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KHK P50053 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
SCHEMBL31428461 0.73 CHRNA7 (0.50) SYKJAK2MEN1GLAGAA
SCHEMBL30163574 0.70 HRH3 (0.42) SYK
SCHEMBL29695797 0.70 CHRNB2 (0.54) SYKJAK2
SCHEMBL16427563 0.70 CHRNB2 (0.54) SYKJAK2
SCHEMBL19497344 0.70 ENPP2 (0.38) TBK1SYKJAK2
SCHEMBL16292255 0.70 AKR1C3 (0.49) JAK2MEN1KMT2A
SCHEMBL24680803 0.70 AKR1C3 (0.49) SYKJAK2MEN1KMT2A
SCHEMBL17642662 0.69 CTSS (0.40) SYKJAK2
SCHEMBL16427245 0.69 CTSS (0.38) TBK1SYKJAK2MEN1KMT2A
SCHEMBL25965585 0.68 DHFR (0.44) SYKJAK2

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
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed