SCHEMBL29934041

SCHEMBL29934041

Cc1ccc(NC(N)=O)cc1CNc1cncc(-c2ncccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.43
▸ KDR P35968 2/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NR3C2 P08235 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ABL1 P00519 3/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL31359374 0.87 MKNK1 (0.38) KCNH2AURKAAURKBKDM4CCYP11B2
SCHEMBL28884710 0.84 KDM4C (0.43) KCNH2KDM4CKCNA5CYP11B2ABL1
SCHEMBL29934030 0.84 KDM4C (0.43) KCNH2KDM4CKCNA5CYP11B2ABL1
SCHEMBL29934245 0.82 HDAC1 (0.43) KCNH2KDRAURKAAURKBMEN1
SCHEMBL28884685 0.82 ABL1 (0.44) RAB9AKDM4CCYP11B2ABL1SRC
SCHEMBL29934296 0.81 KDR (0.48) KCNH2KDRFGFR3CYP11B2HDAC1
SCHEMBL31359380 0.75 MKNK1 (0.53) KDM4CCYP11B2HDAC3HDAC1HDAC8
SCHEMBL29934825 0.75 CYP11B2 (0.33) KCNH2KMT2AMAPTKCNA5CYP11B2
SCHEMBL29932952 0.73 CNR1 (0.42) —
SCHEMBL29932961 0.73 CNR1 (0.42) —

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
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
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