SCHEMBL3835525

SCHEMBL3835525

Cc1cc(O)ccc1-c1cc2c(c(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c1)C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
NR1H3 Q13133 3/20 0.33
ESR1 P03372 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
SCHEMBL3835114 0.91 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3837598 0.91 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3839371 0.89 CHEK1 (0.42) NR1H2NR1H3PARP1
SCHEMBL3837852 0.89 NR1H2 (0.41) NR1H2NR1H3PARP1
SCHEMBL3835772 0.88 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3835632 0.87 PARP1 (0.40) NR1H2NR1H3PARP1
SCHEMBL3835025 0.87 PARP1 (0.40) NR1H2NR1H3PARP1
SCHEMBL3842078 0.87 NR1H2 (0.36) NR1H2NR1H3PARP1
SCHEMBL3837647 0.87 NR1H2 (0.36) NR1H2NR1H3PARP1
SCHEMBL3837040 0.86 NR1H2 (0.41) NR1H2NR1H3

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