SCHEMBL3834995

SCHEMBL3834995

CCN(CC)Cc1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NR1H2 P55055 17/20 0.34
NR1H3 Q13133 4/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL3839726 0.94 PARP1 (0.36) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3839027 0.93 PARP1 (0.37) PARP1HRH3NR1H2NR1H3BRD4
SCHEMBL3835632 0.92 PARP1 (0.40) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3835025 0.92 PARP1 (0.40) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3835247 0.92 PARP1 (0.37) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3839452 0.90 PARP1 (0.38) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3836443 0.90 PARP1 (0.35) PARP1NR1H2NR1H3
SCHEMBL3837640 0.90 NR1H2 (0.35) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3835267 0.89 NR1H2 (0.37) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3840899 0.89 PARP1 (0.36) PARP1NR1H2NR1H3BRD4CREBBP

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