SCHEMBL7808987

SCHEMBL7808987

CN(C)S(=O)(=O)N1CCN(c2ccc3c(c2)C(C)(C)c2c(c4ccc(N)cc4n2C)C3=O)CC1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.77
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL897365 0.87 ALK (1.00) ALKKITKDR
SCHEMBL1755935 0.84 ALK (0.55) ALKKITKDR
SCHEMBL1755840 0.83 ALK (0.64) ALKKITKDR
SCHEMBL7810026 0.74 ALK (0.65) ALKALDH1A1MAPTMAPK1
SCHEMBL20004138 0.73 ALK (0.76) ALKKITKDR
SCHEMBL7805398 0.73 ALK (0.77) ALKKITKDR
SCHEMBL897235 0.72 ALK (0.82) ALKKITKDR
SCHEMBL896771 0.71 ALK (0.74) ALKKITKDR
SCHEMBL24676221 0.70 ALK (0.51) ALKMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7812045 0.70 ALK (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143664-A1 TETRACYCLIC COMPOUND 中外製薬株式会社 (JP) 2010-12-16 WO disclosed