SCHEMBL23938012

SCHEMBL23938012

CC(C)N1CCC(Nc2c(Br)cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)nc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.45
ALK Q9UM73 2/20 0.45
TBK1 Q9UHD2 4/20 0.43
IKBKE Q14164 1/20 0.43
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
AURKA O14965 1/20 0.38
FLT3 P36888 1/20 0.38
KCNH2 Q12809 1/20 0.38
EGFR P00533 1/20 0.38
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
EHMT2 Q96KQ7 1/20 0.36
IGF1R P08069 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 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
SCHEMBL19778630 0.97 TBK1 (0.44) INSRALKTBK1IKBKEJAK1
SCHEMBL30520727 0.97 TBK1 (0.44) INSRALKTBK1IKBKEJAK1
SCHEMBL30521313 0.93 INSR (0.48) INSRALKTBK1IKBKEJAK1
SCHEMBL19778608 0.93 INSR (0.48) INSRALKTBK1IKBKEJAK1
SCHEMBL19778629 0.92 TBK1 (0.42) INSRALKTBK1IKBKEJAK1
SCHEMBL30520772 0.92 TBK1 (0.42) INSRALKTBK1IKBKEJAK1
SCHEMBL30521383 0.91 TBK1 (0.52) INSRALKTBK1IKBKEJAK1
SCHEMBL19778637 0.91 TBK1 (0.52) INSRALKTBK1IKBKEJAK1
SCHEMBL23937956 0.91 TBK1 (0.41) INSRALKTBK1IKBKEJAK1
SCHEMBL19778921 0.90 AURKA (0.42) INSRALKTBK1IKBKEJAK2

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