SCHEMBL22369334

SCHEMBL22369334

C=C1c2cc(C)ccc2Cc2[nH]c3cc(C#N)ccc3c21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.39
FLT3 P36888 3/20 0.37
ITK Q08881 1/20 0.37
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
EML4 Q9HC35 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL15821395 0.76 FLT3 (0.47) ALKFLT3SRPK2SRPK1EML4
SCHEMBL29818492 0.76 FLT3 (0.47) ALKFLT3SRPK2SRPK1EML4
SCHEMBL22369276 0.75 ALK (0.55) ALKSRPK2SRPK1EML4
SCHEMBL30009067 0.71 ALK (0.46) ALKFLT3
SCHEMBL6008260 0.70 KIF11 (0.58) ALKITK
SCHEMBL20356899 0.69 MAPK10 (0.46) ITK
SCHEMBL31737740 0.69 MAPK10 (0.46) ITK
SCHEMBL12727213 0.69 ALDH1A1 (0.45) METAP1
SCHEMBL31507375 0.67 ALK (0.70) ALKSRPK2SRPK1EML4
SCHEMBL20366576 0.67 ALK (0.70) ALKSRPK2SRPK1EML4

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-3698788-A1 COMPOSITION COMPRISING TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-08-26 EP disclosed