SCHEMBL20004103

SCHEMBL20004103

CN(C)Sc1cc2c(cc1N1CCN(CCO)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.76
EML4 Q9HC35 2/20 0.63
SRPK2 P78362 1/20 0.63
SRPK1 Q96SB4 1/20 0.63
KDR P35968 2/20 0.57

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
SCHEMBL20004589 0.88 ALK (0.73) ALKEML4SRPK2SRPK1KDR
SCHEMBL20004593 0.87 ALK (0.69) ALKEML4SRPK2SRPK1KDR
SCHEMBL898077 0.87 ALK (0.76) ALKEML4SRPK2SRPK1KDR
SCHEMBL20004638 0.87 ALK (0.72) ALKEML4SRPK2SRPK1KDR
SCHEMBL897236 0.86 ALK (1.00) ALKEML4SRPK2SRPK1KDR
SCHEMBL21443179 0.86 ALK (0.75) ALKEML4SRPK2SRPK1KDR
SCHEMBL20004099 0.84 ALK (0.63) ALKEML4SRPK2SRPK1KDR
SCHEMBL20366339 0.84 ALK (0.70) ALKEML4SRPK2SRPK1KDR
SCHEMBL897120 0.82 ALK (0.77) ALKKDR
SCHEMBL20004111 0.80 ALK (0.61) ALKEML4SRPK2SRPK1

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed