SCHEMBL20004732

SCHEMBL20004732

CNC1CCN(c2cc3c(cc2Cl)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.84
EML4 Q9HC35 2/20 0.64
KDR P35968 3/20 0.62
KIT P10721 1/20 0.62
SRPK2 P78362 1/20 0.61
SRPK1 Q96SB4 1/20 0.61

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
SCHEMBL20004741 0.91 ALK (0.80) ALKEML4KDRKITSRPK2
SCHEMBL898109 0.91 ALK (1.00) ALKEML4KDRKITSRPK2
SCHEMBL898123 0.90 ALK (0.81) ALKEML4KDRKITSRPK2
SCHEMBL20004740 0.90 ALK (0.78) ALKEML4KDRKITSRPK2
SCHEMBL20004855 0.89 ALK (0.84) ALKEML4KDRSRPK2SRPK1
SCHEMBL898032 0.88 ALK (0.79) ALKEML4KDRKITSRPK2
SCHEMBL897317 0.88 ALK (0.87) ALKEML4KDRKITSRPK2
SCHEMBL897006 0.87 ALK (0.84) ALKKDRKIT
SCHEMBL16775689 0.87 ALK (0.74) ALKEML4KDRKIT
SCHEMBL897633 0.86 ALK (0.85) ALKEML4KDRKITSRPK2

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