SCHEMBL17850463

SCHEMBL17850463

CN1C2CC[C@H]1C[C@@H](c1ccc(-n3cc(-c4n[nH]c5cc(F)ccc45)nn3)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
MAP2K4 P45985 9/20 0.37
MAP2K7 O14733 2/20 0.35
ITK Q08881 1/20 0.35
FLT3 P36888 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
OPRD1 P41143 1/20 0.34
P2RY14 Q15391 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL10196959 1.00 HTR2A (0.39) HTR2AFGFR1FLT1KDRMAP2K4
SCHEMBL10194860 0.96 FGFR1 (0.39) HTR2AFGFR1FLT1KDRMAP2K4
SCHEMBL10194801 0.88 GRM4 (0.39) HTR2AFGFR1FLT1FLT3ADRA2A
SCHEMBL10196871 0.88 GRM4 (0.39) HTR2AFGFR1FLT1FLT3ADRA2A
SCHEMBL10194964 0.86 P2RY14 (0.35) ITKFLT3ADRA2AADRA2BADRA2C
SCHEMBL10194983 0.85 P2RY14 (0.47) HTR2AMAP2K4ADRA2AADRA2BADRA2C
SCHEMBL10194867 0.84 GRM4 (0.38) FGFR1FLT1FLT3ADRA2AADRA2B
SCHEMBL15322358 0.84 HTR2A (0.38) HTR2AFGFR1FLT1KDRMAP2K4
SCHEMBL15317778 0.84 HTR2A (0.38) HTR2AFGFR1FLT1KDRMAP2K4
SCHEMBL10194743 0.80 P2RY14 (0.39) HTR2AFGFR1FLT1KDRADRA2A

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