SCHEMBL21390857

SCHEMBL21390857

Cc1cc(Cl)nc2c1nc(CCCCC(=O)CC(C)(C)O)n2C1CCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.32
PIK3CA P42336 1/20 0.31

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
SCHEMBL21391164 0.80 CDK4 (0.35)
SCHEMBL21390781 0.78 BRD4 (0.33)
SCHEMBL21390920 0.78 RORC (0.33) RORCPIK3CA
SCHEMBL21390754 0.77 NOS1 (0.33)
SCHEMBL19276059 0.77 SMO (0.34) RORCPIK3CA
SCHEMBL21391168 0.76 RORC (0.35) RORC
SCHEMBL21391176 0.75 HDAC1 (0.32)
SCHEMBL21391047 0.75 PIM1 (0.30)
SCHEMBL21390803 0.75 CCNT1 (0.35)
SCHEMBL21391177 0.75 RORC (0.32) RORC

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed