SCHEMBL10196757

SCHEMBL10196757

c1ccc2c(-c3cn(-c4ccc(C5CC6CC[C@H](C5)N6C5CCCCC5)cc4)nn3)n[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.37
FLT1 P17948 2/20 0.37
ABL1 P00519 1/20 0.37
GRM4 Q14833 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
SLC18A3 Q16572 1/20 0.36
MIF P14174 1/20 0.35
MAP3K5 Q99683 3/20 0.35
LRRK2 Q5S007 1/20 0.34
ROCK2 O75116 2/20 0.33
JAK2 O60674 1/20 0.33
GSK3B P49841 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
CDC7 O00311 2/20 0.32

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
SCHEMBL17850431 1.00 FGFR1 (0.37) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL15312569 1.00 FGFR1 (0.37) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL15312570 1.00 FGFR1 (0.37) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL15312601 1.00 FGFR1 (0.37) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL10194803 0.90 GRM4 (0.36) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL10194867 0.87 GRM4 (0.38) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL10194801 0.87 GRM4 (0.39) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL10196871 0.87 GRM4 (0.39) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL15317781 0.83 GRM4 (0.40) FGFR1FLT1ABL1GRM4SIGMAR1
SCHEMBL10194770 0.83 GRM4 (0.40) FGFR1FLT1ABL1GRM4SIGMAR1

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 2 patents. 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
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed