SCHEMBL17850434

SCHEMBL17850434

c1ccc2c(-c3cn(-c4ccc5c(c4)N4CCC5CC4)nn3)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.41
FLT1 P17948 3/20 0.41
ABL1 P00519 1/20 0.41
LRRK2 Q5S007 4/20 0.39
ITK Q08881 1/20 0.37
GRM4 Q14833 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
ROCK2 O75116 4/20 0.36
JAK2 O60674 2/20 0.36
GSK3B P49841 2/20 0.36
CDC7 O00311 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
CDK2 P24941 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
MAPK10 P53779 2/20 0.35
IDO1 P14902 2/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL10194994 0.80 RBP4 (0.44) FGFR1FLT1RBP4
SCHEMBL10194985 0.78 HTR2C (0.42) FGFR1FLT1ITKGRM4IRAK4
SCHEMBL10194980 0.78 HTR2C (0.42) FLT1IRAK4MAPK8MAPK9PIM1
SCHEMBL10194956 0.77 FGFR1 (0.44) FGFR1FLT1ABL1LRRK2GRM4
SCHEMBL10194973 0.75 FGFR1 (0.46) FGFR1FLT1LRRK2ITKGRM4
SCHEMBL9959526 0.75 DRD2 (0.39) FGFR1FLT1ABL1LRRK2GRM4
SCHEMBL10195395 0.74 P2RY14 (0.46) LRRK2GRM4IRAK4MAPK8MAPK9
SCHEMBL10195390 0.74 DRD2 (0.45) FGFR1FLT1LRRK2GRM4IRAK4
Hydrochloric Acid SCHEMBL9959222 0.74 P2RY14 (0.46) LRRK2GRM4IRAK4MAPK8MAPK9
SCHEMBL9952579 0.73 FLT3 (0.47) GRM4ROCK2ROCK1KDM4EALDH1A1

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