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SCHEMBL3837075

SCHEMBL3837075

CN(C)Cc1cc2c(c(-c3cc4cc(CN5CCC(O)CC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.35
▸ NR1H2 P55055 12/20 0.34
▸ NR1H3 Q13133 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL3835247 0.93 PARP1 (0.37) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3839027 0.92 PARP1 (0.37) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3835873 0.92 HTT (0.36) GPR119NR1H2NR1H3KDRMCHR1
SCHEMBL3837004 0.91 ATR (0.38) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3840818 0.89 PARP1 (0.40) NR1H2NR1H3BRD4CREBBPPARP1
SCHEMBL3840823 0.89 NR1H2 (0.33) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3834991 0.86 HRH3 (0.39) GPR119NR1H2NR1H3BRD4CREBBP
SCHEMBL3839726 0.86 PARP1 (0.36) NR1H2NR1H3BRD4CREBBPMCHR1
SCHEMBL3835632 0.85 PARP1 (0.40) NR1H2NR1H3BRD4CREBBPPARP1
SCHEMBL3835025 0.85 PARP1 (0.40) NR1H2NR1H3BRD4CREBBPPARP1

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 — — EP disclosed