SCHEMBL28660407

SCHEMBL28660407

COc1ccc(Cl)c2ccc(Nc3cc(N4CCN(C)CC4)ccn3)nc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.52
▸ TNIK Q9UKE5 2/20 0.45
▸ HRH4 Q9H3N8 3/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ EGFR P00533 2/20 0.41
▸ ERBB3 P21860 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ BRD3 Q15059 1/20 0.41

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
SCHEMBL28663832 0.89 INSR (0.46) BRD4TNIKIKBKETBK1
SCHEMBL28654896 0.86 BRD4 (0.45) BRD4TNIKHRH4IKBKETBK1
SCHEMBL28660399 0.77 ALDH1A1 (0.39) BRD4HRH4
SCHEMBL28929164 0.75 CHEK1 (0.43) TNIKIKBKETBK1
SCHEMBL28653790 0.72 HTR2C (0.39) BRD4EGFR
SCHEMBL30340921 0.71 IGF1R (0.54) TNIKFGFR3EGFRERBB3
SCHEMBL28677765 0.71 HRH4 (0.51) HRH4IKBKETBK1EGFRKDM1A
SCHEMBL28663834 0.71 CCNT1 (0.43) —
SCHEMBL28053990 0.70 ALK (0.59) BRD4FGFR3EGFR
SCHEMBL28663835 0.69 KDM4E (0.42) TNIKFGFR3EGFR

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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