SCHEMBL28663832

SCHEMBL28663832

COc1ccc(Cl)c2ccc(Nc3cc(N4CCOCC4)ccn3)nc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ TNIK Q9UKE5 4/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ IKBKE Q14164 2/20 0.44
▸ TBK1 Q9UHD2 2/20 0.44
▸ MAPK10 P53779 3/20 0.43
▸ CHEK1 O14757 3/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ BCL6 P41182 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ JAK3 P52333 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
SCHEMBL28660407 0.89 BRD4 (0.52) TNIKIKBKETBK1BRD4
SCHEMBL28929164 0.86 CHEK1 (0.43) INSRALKTNIKKCNH2LRRK2
SCHEMBL28663835 0.80 KDM4E (0.42) INSRALKTNIKKCNH2LRRK2
SCHEMBL28660399 0.76 ALDH1A1 (0.39) ALKBRD4
SCHEMBL28654896 0.75 BRD4 (0.45) TNIKIKBKETBK1BRD4
SCHEMBL28663834 0.74 CCNT1 (0.43) —
SCHEMBL28053893 0.70 ALK (0.63) INSRALKKCNH2LRRK2TBK1
SCHEMBL28672733 0.70 MAPT (0.51) LRRK2IKBKETBK1MAPK10CHEK1
SCHEMBL25769210 0.68 CHEK1 (0.53) IKBKETBK1MAPK10CHEK1IGF1R
SCHEMBL28929167 0.67 EGFR (0.40) INSRALKTNIKKCNH2JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717158-A 2- (N- (pyridine-2-yl) amino) quinoline derivative and application thereof 河南省人民医院 2021-11-30 — — CN claimed
CN-113717158-A 2- (N- (pyridine-2-yl) amino) quinoline derivative and application thereof 河南省人民医院 2021-11-30 — — CN disclosed
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