SCHEMBL17850469

SCHEMBL17850469

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(NCC5CCCCCC5)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
FLT3 P36888 10/20 0.44
MAPK10 P53779 1/20 0.43
ITK Q08881 2/20 0.42
AXL P30530 1/20 0.42
LRRK2 Q5S007 1/20 0.42
JAK2 O60674 1/20 0.42
MAPK1 P28482 1/20 0.41
PDPK1 O15530 1/20 0.40
METTL3 Q86U44 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
SCHEMBL10194802 0.95 FLT3 (0.45) FGFR1FLT1FLT3MAPK10AXL
SCHEMBL10194898 0.84 FLT3 (0.43) FLT3MAPK10LRRK2JAK2PDPK1
SCHEMBL10194786 0.83 FLT3 (0.43) FLT3MAPK10ITKAXLLRRK2
SCHEMBL17850461 0.83 LRRK2 (0.43) FLT3MAPK10LRRK2JAK2PDPK1
SCHEMBL10194890 0.83 AXL (0.50) FLT3MAPK10ITKAXLLRRK2
SCHEMBL10194681 0.82 BTK (0.48) FLT3ITKAXLLRRK2JAK2
SCHEMBL17850460 0.82 FLT3 (0.47) FLT3MAPK10LRRK2JAK2
SCHEMBL10194763 0.81 JAK2 (0.50) FLT3MAPK10LRRK2JAK2
SCHEMBL10194698 0.81 MAPK10 (0.49) FLT3MAPK10LRRK2JAK2
SCHEMBL10194781 0.81 JAK2 (0.49) FLT3MAPK10LRRK2JAK2MAPK1

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