SCHEMBL30009705

SCHEMBL30009705

CN1CCN(c2cc3c(cc2Cl)Cc2c([nH]c4cc(Br)ccc24)C3(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.44
SRPK2 P78362 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
EML4 Q9HC35 1/20 0.40
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35
KCNH2 Q12809 1/20 0.34
HTR6 P50406 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL30009083 0.89 ALK (0.44) ALK
SCHEMBL30009875 0.86 ALK (0.53) ALKSRPK2SRPK1EML4
SCHEMBL30009674 0.85 ALK (0.46) ALKSRPK2SRPK1EML4
SCHEMBL30010172 0.84 ALK (0.56) ALKSRPK2SRPK1EML4
SCHEMBL27087618 0.81 ALK (0.64) ALKSRPK2SRPK1EML4
SCHEMBL29940605 0.81 ALK (0.38) ALKCA1CA2CA4CA6
SCHEMBL27087539 0.79 ALK (0.48) ALKCA1CA2CA4CA6
SCHEMBL27087612 0.78 ALK (0.52) ALKSRPK2SRPK1EML4
SCHEMBL30009827 0.77 ALK (0.45) ALKSRPK2SRPK1EML4
SCHEMBL30009523 0.76 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