SCHEMBL17850423

SCHEMBL17850423

O=C(NC1CCCNC1)c1ccc2[nH]nc(C3=CN(c4ccc(CN5CCOCC5)cc4)NN3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.53
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10194971 0.83 FLT3 (0.55) FLT3KDM4ENPC1RAB9AKMT2A
SCHEMBL15317779 0.73 FLT3 (0.51) FLT3KDM4ENPC1RAB9AKMT2A
SCHEMBL10194719 0.71 FLT3 (0.51) FLT3KDM4ENPC1RAB9AKMT2A
SCHEMBL12074236 0.71
SCHEMBL14859968 0.71
SCHEMBL9952109 0.71 FLT3 (0.49) FLT3KDM4ENPC1RAB9AKMT2A
SCHEMBL31172183 0.69 FLT3 (1.00) FLT3
SCHEMBL31172344 0.69 FLT3 (1.00) FLT3
SCHEMBL31172392 0.69 FLT3 (1.00) FLT3
SCHEMBL10194717 0.69 KDM4E (0.49) FLT3KDM4ENPC1RAB9AKMT2A

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