SCHEMBL17850436

SCHEMBL17850436

CCC1CN(c2ccc3[nH]nc(-c4cn(-c5ccc(C(=O)N6CCOCC6)cc5)nn4)c3c2)CCN1CC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 17/20 0.43
JAK2 O60674 1/20 0.41
LRRK2 Q5S007 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL9958329 0.83 FLT3 (0.47) FLT3JAK2LRRK2MAPK10
SCHEMBL10194677 0.83 FLT3 (0.48) FLT3JAK2LRRK2MAPK10
SCHEMBL10194804 0.82 FLT3 (0.46) FLT3JAK2LRRK2MAPK10
SCHEMBL10194993 0.82 FLT3 (0.46) FLT3JAK2LRRK2MAPK10
SCHEMBL10194781 0.81 JAK2 (0.49) FLT3JAK2LRRK2MAPK10
SCHEMBL17850460 0.81 FLT3 (0.47) FLT3JAK2LRRK2MAPK10
SCHEMBL10194763 0.80 JAK2 (0.50) FLT3JAK2LRRK2MAPK10
SCHEMBL10194698 0.80 MAPK10 (0.49) FLT3JAK2LRRK2MAPK10
SCHEMBL10194757 0.80 JAK2 (0.49) FLT3JAK2LRRK2MAPK10
SCHEMBL10194764 0.80 JAK2 (0.49) FLT3JAK2LRRK2MAPK10

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