SCHEMBL7499604

SCHEMBL7499604

Cc1nc2cnccc2n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.49
DYRK1A Q13627 1/20 0.47
LATS1 O95835 2/20 0.47
BRD4 O60885 9/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4718418 0.83 RPS6KA5 (0.63) STING1DYRK1A
SCHEMBL15176651 0.81 BRD4 (0.62) STING1BRD4CYP3A4CYP2D6CYP2C9
SCHEMBL8322503 0.81 KDM4E (0.41)
SCHEMBL10388938 0.81 RPS6KA5 (0.45) DYRK1A
SCHEMBL4717657 0.80 RPS6KA5 (0.64) STING1DYRK1A
SCHEMBL5344983 0.75 DYRK1A (0.47) STING1DYRK1ABRD4
SCHEMBL8883493 0.75 PTAFR (0.51)
SCHEMBL8882903 0.74 PTAFR (0.49)
SCHEMBL10388556 0.74 PTAFR (0.48)
SCHEMBL8321832 0.74 GAA (0.50)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed