SCHEMBL20310032

SCHEMBL20310032

C=Cc1cc2c(ON3CN[C@H](C(=O)OC)C3)cc(OCC)nc2cc1OC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.32
MAPK1 P28482 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
MAPK7 Q13164 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
SCHEMBL7996413 0.80 KDR (0.35) STING1AAK1
Hydrochloric Acid SCHEMBL1071131 0.80 KDR (0.35) STING1AAK1
Hydrochloric Acid SCHEMBL3494749 0.73 STING1 (0.36) STING1AAK1
Hydrochloric Acid SCHEMBL2897201 0.73 STING1 (0.36) STING1AAK1
SCHEMBL12934499 0.73 P2RX3 (0.39)
SCHEMBL3496077 0.71 STING1 (0.35) STING1AAK1
Hydrochloric Acid SCHEMBL1071132 0.71 HTR3E (0.37) STING1
SCHEMBL12963793 0.70 STING1 (0.30) STING1
SCHEMBL1071024 0.68 PDE4B (0.33) STING1
SCHEMBL8224387 0.67 KDR (0.36)

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-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed