SCHEMBL20004679

SCHEMBL20004679

COc1cc2c(cc1N1CCN(C)CC1)C(=O)c1c([nH]c3cc(N(C)C)ccc13)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.58
EML4 Q9HC35 2/20 0.53
SRPK2 P78362 1/20 0.53
SRPK1 Q96SB4 1/20 0.53
KDR P35968 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
SCHEMBL7814834 0.87 ALK (0.59) ALKEML4SRPK2SRPK1KDR
SCHEMBL897931 0.85 ALK (0.74) ALKEML4SRPK2SRPK1KDR
SCHEMBL7814119 0.75 ALK (0.58) ALKEML4SRPK2SRPK1KDR
SCHEMBL1755769 0.73 ALK (0.81) ALKEML4SRPK2SRPK1
SCHEMBL896699 0.73 ALK (1.00) ALKEML4SRPK2SRPK1
SCHEMBL897382 0.73 ALK (0.76) ALKEML4SRPK2SRPK1KDR
SCHEMBL20004634 0.73 ALK (0.71) ALKEML4SRPK2SRPK1
SCHEMBL1756003 0.72 ALK (0.63) ALKKDR
SCHEMBL22561578 0.72 ALK (0.77) ALKEML4SRPK2SRPK1KDR
SCHEMBL27087618 0.72 ALK (0.64) ALKEML4SRPK2SRPK1KDR

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