SCHEMBL20004401

SCHEMBL20004401

CC1CN(c2cc3c(cc2Br)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC(C)N1C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 1.00
KDR P35968 3/20 0.62
KIT P10721 1/20 0.56

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
SCHEMBL29962368 1.00 ALK (1.00) ALKKDRKIT
SCHEMBL20366423 1.00 ALK (1.00) ALKKDRKIT
SCHEMBL898456 1.00 ALK (1.00) ALKKDRKIT
SCHEMBL896869 0.87 ALK (1.00) ALKKDRKIT
SCHEMBL29962636 0.87 ALK (0.77) ALKKDRKIT
SCHEMBL898598 0.87 ALK (0.77) ALKKDRKIT
SCHEMBL20004793 0.87 ALK (0.77) ALKKDRKIT
SCHEMBL29962657 0.86 ALK (0.76) ALKKDRKIT
SCHEMBL20366664 0.86 ALK (0.76) ALKKDRKIT
SCHEMBL897665 0.86 ALK (0.76) ALKKDRKIT

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