SCHEMBL17850412

SCHEMBL17850412

N=C(c1cn(-c2ccc(C(=O)N3CCOCC3)c(C(F)(F)F)c2)nn1)c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 11/20 0.48
GPR119 Q8TDV5 2/20 0.44
WDR5 P61964 1/20 0.41
NOTUM Q6P988 2/20 0.39
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10195780 0.88 ESRRA (0.44) ESRRAWDR5
SCHEMBL10194732 0.86 ESRRA (0.44) ESRRAWDR5
SCHEMBL10195446 0.77 PIK3CA (0.42) ESRRAGPR119WDR5SMN1; SMN2
SCHEMBL17850437 0.74 ESRRA (0.47) ESRRAGPR119NOTUM
SCHEMBL10194950 0.74 MAPK10 (0.44) GPR119
SCHEMBL17850414 0.71 HPGD (0.40) ESRRAWDR5SMN1; SMN2
SCHEMBL22834181 0.71 GPR119 (0.41) GPR119NOTUMRXRAGRIN1GRIN2B
SCHEMBL10194913 0.71 ESRRA (0.49) ESRRA
SCHEMBL4287349 0.71 EPHX2 (0.48) SMN1; SMN2
SCHEMBL10195456 0.69 GPR119 (0.37) GPR119NOTUMRXRAGRIN1GRIN2B

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-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed