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SCHEMBL5311490

SCHEMBL5311490

CC(=O)N[C@@H]1CCN(C(=O)Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(C)cc5)nc4s3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.38
▸ HCK P08631 4/20 0.37
▸ BTK Q06187 4/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ MC4R P32245 2/20 0.36
▸ SYK P43405 11/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LCK P06239 1/20 0.34

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
SCHEMBL5311494 1.00 ITK (0.38) ITKHCKBTKMAP3K12MC4R
SCHEMBL5333672 0.89 MAP3K12 (0.37) ITKHCKBTKMAP3K12MC4R
SCHEMBL5328587 0.89 MAP3K12 (0.37) ITKHCKBTKMAP3K12MC4R
SCHEMBL5328608 0.89 MAP3K12 (0.37) ITKHCKBTKMAP3K12MC4R
SCHEMBL5312665 0.89 HCK (0.38) ITKHCKBTKSYK
SCHEMBL5334096 0.89 HCK (0.38) ITKHCKBTKSYK
SCHEMBL5312669 0.89 HCK (0.38) ITKHCKBTKSYK
SCHEMBL5309897 0.87 KDR (0.41) SYKLCK
SCHEMBL5312193 0.87 ECE2 (0.42) MAP3K12LCK
SCHEMBL5312031 0.86 ECE2 (0.41) MAP3K12LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO disclosed