SCHEMBL23937981

SCHEMBL23937981

CCN1CCC(Nc2c(Br)cnc3[nH]c(-c4ccc(N5CCN(SC)CC5)cc4)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.41
IKBKE Q14164 1/20 0.41
ACHE P22303 1/20 0.40
JAK1 P23458 3/20 0.37
INSR P06213 2/20 0.37
ALK Q9UM73 2/20 0.37
AURKA O14965 7/20 0.34
FLT3 P36888 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
TDO2 P48775 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL23937972 0.91 TBK1 (0.43) TBK1IKBKEJAK1INSRALK
SCHEMBL23937978 0.90 JAK1 (0.41) TBK1IKBKEACHEJAK1INSR
SCHEMBL19778613 0.89 ACHE (0.44) TBK1IKBKEACHEJAK1INSR
SCHEMBL30520619 0.89 ACHE (0.44) TBK1IKBKEACHEJAK1INSR
SCHEMBL23937956 0.88 TBK1 (0.41) TBK1IKBKEJAK1INSRALK
SCHEMBL30520741 0.87 TBK1 (0.40) TBK1IKBKEACHEJAK1INSR
SCHEMBL23365873 0.87 TBK1 (0.40) TBK1IKBKEACHEJAK1INSR
SCHEMBL19778975 0.86 AURKA (0.46) TBK1IKBKEACHEJAK1INSR
SCHEMBL19778840 0.86 AURKA (0.41) TBK1IKBKEACHEJAK1INSR
SCHEMBL19778716 0.86 JAK1 (0.41) TBK1IKBKEACHEJAK1INSR

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-3481824-B1 2-PHENYLIMIDAZO[4,5-B]PYRIDIN-7-AMINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2021-10-20 EP disclosed