SCHEMBL3837852

SCHEMBL3837852

Cc1cccc(C)c1-c1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.41
NR1H3 Q13133 4/20 0.37
PARP1 P09874 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL3835114 0.93 NR1H2 (0.40) NR1H2NR1H3BRD4CREBBP
SCHEMBL3835772 0.91 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3839371 0.90 CHEK1 (0.42) NR1H2NR1H3PARP1BRD4CREBBP
SCHEMBL3835025 0.89 PARP1 (0.40) NR1H2NR1H3PARP1BRD4CREBBP
SCHEMBL3835632 0.89 PARP1 (0.40) NR1H2NR1H3PARP1BRD4CREBBP
SCHEMBL3835525 0.89 NR1H2 (0.35) NR1H2NR1H3PARP1
SCHEMBL3842078 0.89 NR1H2 (0.36) NR1H2NR1H3PARP1
SCHEMBL3837598 0.89 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3841029 0.89 NR1H2 (0.38) NR1H2NR1H3PARP1BRD4CREBBP
SCHEMBL3043809 0.89 NR1H2 (0.41) NR1H2NR1H3PARP1BRD4CREBBP

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