SCHEMBL1755804

SCHEMBL1755804

CC1(C)c2ccc(CC3CCNCC3)cc2C(=O)c2c1[nH]c1cc(N)ccc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.60
KDR P35968 2/20 0.45
EML4 Q9HC35 1/20 0.43

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
SCHEMBL7808869 0.93 ALK (0.62) ALKKDR
SCHEMBL897373 0.87 ALK (0.78) ALKKDREML4
SCHEMBL7811636 0.86 ALK (0.77) ALKKDR
SCHEMBL1755999 0.84 ALK (0.58) ALKKDREML4
SCHEMBL1755889 0.82 ALK (0.49) ALKEML4
SCHEMBL1755855 0.80 ALK (0.62) ALK
SCHEMBL10283062 0.80 ALK (0.78) ALKKDR
SCHEMBL1755850 0.80 ALK (0.58) ALKKDR
SCHEMBL897530 0.80 ALK (0.78) ALKKDR
SCHEMBL7814274 0.80 ALK (0.77) ALKKDR

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