SCHEMBL17850432

SCHEMBL17850432

CCn1nc(-c2cc(F)cc(F)c2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.54
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL11402474 0.84 MEN1 (0.52) MEN1KMT2ATP53HRH3HTT
SCHEMBL15317757 0.83 MET (0.51) METMEN1KMT2ATP53
SCHEMBL4054492 0.78 HTT (0.62) MEN1KMT2ATP53HTT
SCHEMBL2466706 0.78 MET (0.58) METMEN1KMT2ATP53
SCHEMBL10195704 0.78 PDE4B (0.50) MEN1KMT2ATP53HTT
SCHEMBL4061176 0.77 MAPT (0.52) METMEN1KMT2ATP53HRH3
Bromide SCHEMBL5751833 0.77 HTT (0.61) MEN1KMT2ATP53HTT
SCHEMBL13561689 0.77 MET (0.74) METMEN1KMT2A
SCHEMBL24035608 0.75 MEN1 (0.52) MEN1KMT2ATP53HRH3HTT
SCHEMBL10194702 0.75 KDM4E (0.52) MEN1KMT2ATP53HRH3HTT

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