SCHEMBL31069718

SCHEMBL31069718

O=C1NCCCc2ncc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.45
PARP1 P09874 1/20 0.45
PARP11 Q9NR21 2/20 0.41
CDC7 O00311 2/20 0.38
SPR P35270 1/20 0.37
TSHR P16473 1/20 0.35
NTRK1 P04629 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAP2K1 Q02750 2/20 0.34
MAPK1 P28482 2/20 0.34
RAF1 P04049 1/20 0.34
GSK3B P49841 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL30285326 0.90 PARP10 (0.51) PARP10PARP1PARP11CDC7NTRK1
SCHEMBL5863725 0.90 PARP10 (0.51) PARP10PARP1PARP11CDC7NTRK1
SCHEMBL31553914 0.81 CDC7 (0.38) PARP1CDC7TSHRNTRK1ALDH1A1
SCHEMBL17141532 0.80 PARP10 (0.39) PARP10PARP1PARP11CDC7NTRK1
SCHEMBL20595703 0.76 DYRK1A (0.33) SPRNTRK1ALDH1A1MAP2K1GSK3B
SCHEMBL2717761 0.76 GRM5 (0.53) SPRTSHRALDH1A1GRM5MAPT
SCHEMBL6616340 0.75 PARP10 (0.45) PARP10PARP1PARP11CDC7NTRK1
SCHEMBL17942177 0.72 GRM5 (0.41) PARP10PARP1NTRK1MAP2K1GSK3B
SCHEMBL2715285 0.71 PARP1 (0.46) PARP10PARP1PARP11CDC7TSHR
SCHEMBL2716578 0.71 ATAD2 (0.43) PARP10PARP1CDC7TSHRNTRK1

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-2025100970-A1 TNAP INHIBITORY COMPOUND AND USE THEREOF 주식회사 레드엔비아 2025-05-15 WO disclosed
CN-118556044-A Fused heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-08-27 CN disclosed