SCHEMBL28654896

SCHEMBL28654896

COc1c(Cl)cc(Cl)c2ccc(Nc3cc(N4CCN(C)CC4)ccn3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.45
▸ HRH4 Q9H3N8 3/20 0.43
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ CCNK O75909 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCND3 P30281 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ TNIK Q9UKE5 2/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ APP P05067 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FGFR3 P22607 1/20 0.38

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
SCHEMBL28660399 0.91 ALDH1A1 (0.39) BRD4HRH4
SCHEMBL28929164 0.89 CHEK1 (0.43) IKBKETBK1TNIKABL1
SCHEMBL28660407 0.86 BRD4 (0.52) BRD4HRH4IKBKETBK1TNIK
SCHEMBL28663832 0.75 INSR (0.46) BRD4IKBKETBK1TNIK
SCHEMBL28677765 0.71 HRH4 (0.51) HRH4IKBKETBK1CDK2CDK9
SCHEMBL28929166 0.71 — —
SCHEMBL28929167 0.70 EGFR (0.40) TNIKEGFRFGFR3
SCHEMBL28655966 0.68 HRH4 (0.50) HRH4IKBKETBK1CDK2CDK9
SCHEMBL23657304 0.67 HRH4 (0.65) HRH4
SCHEMBL30340921 0.67 IGF1R (0.54) CDK2TNIKEGFRFGFR3

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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