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SCHEMBL27720693

SCHEMBL27720693

Cc1cc(-c2cc3cc(CN4CCN(CCO)CC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1Cl)CNC2C(=O)C1NCc2c(Cl)c(C)cc(-c3cc4cc(CN5CCN(CCO)CC5)ccc4n3C(=O)OC(C)(C)C)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.35
▸ TBK1 Q9UHD2 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NR1H3 Q13133 3/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ IDO2 Q6ZQW0 1/20 0.31

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
SCHEMBL27700250 0.94 NR1H2 (0.36) NR1H2TBK1BRD4CREBBPPKM
SCHEMBL27720679 0.92 NR1H2 (0.35) NR1H2TBK1BRD4CREBBPPKM
SCHEMBL27700179 0.91 NR1H2 (0.37) NR1H2BRD4CREBBPPKMNR1H3
SCHEMBL27700267 0.90 NR1H2 (0.36) NR1H2TBK1BRD4CREBBPPKM
SCHEMBL27720742 0.89 NR1H2 (0.33) NR1H2TBK1BRD4CREBBPPKM
SCHEMBL28772272 0.88 NR1H2 (0.33) NR1H2BRD4CREBBPPKMNR1H3
SCHEMBL27720923 0.88 NR1H2 (0.37) NR1H2BRD4CREBBPPKMNR1H3
SCHEMBL28772314 0.87 NR1H2 (0.36) NR1H2BRD4CREBBPPKMNR1H3
SCHEMBL27720924 0.85 NR1H2 (0.35) NR1H2TBK1BRD4CREBBPNR1H3
SCHEMBL27720822 0.84 NR1H2 (0.34) NR1H2PKMNR1H3ATRATRIP

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
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 — — CN disclosed