SCHEMBL1755935

SCHEMBL1755935

Cn1c2c(c3ccc(N)cc31)C(=O)c1ccc(N3CCOCC3)cc1C2(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.55
KDR P35968 3/20 0.46
KIT P10721 2/20 0.46
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL896771 0.86 ALK (0.74) ALKKDRKIT
SCHEMBL24676221 0.84 ALK (0.51) ALKKDRKITNTRK1LCK
SCHEMBL7808987 0.84 ALK (0.77) ALKKDRKIT
SCHEMBL7807828 0.81 ALK (0.75) ALKKDRKIT
SCHEMBL1755742 0.80 ALK (0.62) ALK
SCHEMBL7810026 0.77 ALK (0.65) ALK
SCHEMBL7805461 0.73 ALK (0.78) ALKKDRKIT
SCHEMBL1755799 0.71 ALK (0.73) ALKKDRKIT
SCHEMBL20004138 0.71 ALK (0.76) ALKKDRKIT
SCHEMBL897365 0.71 ALK (1.00) ALKKDRKIT

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-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed