SCHEMBL20004250

SCHEMBL20004250

C[S+]([O-])NC1CCN(c2cc3c(cc2Br)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.76
EML4 Q9HC35 2/20 0.59
KDR P35968 2/20 0.58
KIT P10721 1/20 0.58
SRPK2 P78362 1/20 0.57
SRPK1 Q96SB4 1/20 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
SCHEMBL20004740 0.91 ALK (0.78) ALKEML4KDRKITSRPK2
SCHEMBL897279 0.88 ALK (0.83) ALKEML4KDRKIT
SCHEMBL20004251 0.88 ALK (0.78) ALKEML4KDRKITSRPK2
SCHEMBL897687 0.86 ALK (0.84) ALKEML4KDRKITSRPK2
SCHEMBL897683 0.86 ALK (1.00) ALKEML4KDRKITSRPK2
SCHEMBL18255522 0.85 ALK (0.81) ALKEML4KDRKITSRPK2
SCHEMBL897298 0.84 ALK (0.81) ALKEML4KDRKITSRPK2
SCHEMBL896916 0.84 ALK (0.88) ALKEML4KDRKITSRPK2
SCHEMBL897175 0.84 ALK (0.94) ALKKDRKIT
SCHEMBL10283387 0.84 ALK (0.72) ALKEML4KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed