SCHEMBL3835120

SCHEMBL3835120

CC(C)(C)OC(=O)n1c(-c2cc(F)cc3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
PARP1 P09874 2/20 0.36
NR1H3 Q13133 5/20 0.36
PARP2 Q9UGN5 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL3835632 0.93 PARP1 (0.40) NR1H2PARP1NR1H3BRD4CREBBP
SCHEMBL3835025 0.93 PARP1 (0.40) NR1H2PARP1NR1H3BRD4CREBBP
SCHEMBL3835267 0.91 NR1H2 (0.37) NR1H2PARP1NR1H3GPR119BRD4
SCHEMBL3839452 0.91 PARP1 (0.38) NR1H2PARP1NR1H3BRD4CREBBP
SCHEMBL3839815 0.91 NR1H2 (0.36) NR1H2PARP1NR1H3GPR119BRD4
SCHEMBL3837647 0.91 NR1H2 (0.36) NR1H2PARP1NR1H3GPR119BRD4
SCHEMBL3841029 0.91 NR1H2 (0.38) NR1H2PARP1NR1H3GPR119BRD4
SCHEMBL3836260 0.90 NR1H2 (0.36) NR1H2PARP1NR1H3BRD4CREBBP
SCHEMBL3835009 0.90 NR1H2 (0.36) NR1H2PARP1NR1H3
SCHEMBL3840922 0.89 NR1H2 (0.35) NR1H2PARP1NR1H3BRD4CREBBP

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