SCHEMBL30009653

SCHEMBL30009653

CC1(C)c2cc(N3CCN(C(=O)O)CC3)c(Cl)cc2C(=O)c2c1[nH]c1cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 20/20 0.53
SRPK2 P78362 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
EML4 Q9HC35 1/20 0.47

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
SCHEMBL27087519 0.89 ALK (0.59) ALKSRPK2SRPK1EML4
SCHEMBL29940684 0.89 ALK (0.59) ALKSRPK2SRPK1EML4
SCHEMBL27087618 0.89 ALK (0.64) ALKSRPK2SRPK1EML4
SCHEMBL30760746 0.89 ALK (0.63) ALKSRPK2SRPK1EML4
SCHEMBL27087635 0.87 ALK (0.55) ALKSRPK2SRPK1EML4
SCHEMBL30009163 0.87 ALK (0.60) ALKSRPK2SRPK1EML4
SCHEMBL28913325 0.86 ALK (0.59) ALKEML4
SCHEMBL27087580 0.86 ALK (0.64) ALK
SCHEMBL27087609 0.83 ALK (0.62) ALKEML4
SCHEMBL27087598 0.83 ALK (0.55) ALKSRPK2SRPK1EML4

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
WO-2022237813-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 盛世泰科生物医药技术(苏州)有限公司 2022-11-17 WO disclosed