SCHEMBL3840899

SCHEMBL3840899

CCOCc1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
NR1H2 P55055 15/20 0.35
NR1H3 Q13133 4/20 0.33
GPR119 Q8TDV5 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDR P35968 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
SCHEMBL3835025 0.93 PARP1 (0.40) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3835632 0.93 PARP1 (0.40) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3840789 0.92 PARP1 (0.37) PARP1NR1H2NR1H3GPR119BRD4
SCHEMBL3839452 0.91 PARP1 (0.38) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3840847 0.90 PARP1 (0.36) PARP1NR1H2NR1H3GPR119KDR
SCHEMBL3839726 0.89 PARP1 (0.36) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3834995 0.89 PARP1 (0.36) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3839027 0.89 PARP1 (0.37) PARP1NR1H2NR1H3GPR119BRD4
SCHEMBL3839225 0.89 PARP1 (0.37) PARP1NR1H2NR1H3BRD4CREBBP
SCHEMBL3835267 0.88 NR1H2 (0.37) PARP1NR1H2NR1H3GPR119BRD4

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