SCHEMBL1755848

SCHEMBL1755848

COc1cc2c(cc1C1=CCNCC1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.55
HTR1A P08908 1/20 0.39
HTR6 P50406 1/20 0.39
EML4 Q9HC35 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
SCHEMBL1755883 0.97 ALK (0.56) ALKHTR1AHTR6
SCHEMBL898274 0.88 ALK (0.72) ALKEML4
SCHEMBL7801170 0.88 ALK (0.53) ALKHTR6
SCHEMBL24676452 0.87 ALK (0.59) ALK
SCHEMBL897187 0.85 ALK (0.73) ALK
SCHEMBL7812393 0.83 ALK (0.77) ALK
SCHEMBL7808626 0.83 ALK (0.66) ALK
SCHEMBL7809425 0.81 ALK (0.59) ALKEML4
SCHEMBL1755990 0.80 ALK (0.55) ALK
SCHEMBL7811873 0.80 ALK (0.72) ALK

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