SCHEMBL30939901

SCHEMBL30939901

CCN(CC)CCCn1c2cc(O)ccc2c2cc(F)nc(C)c21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.39
▸ HASPIN Q8TF76 2/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ KIT P10721 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NQO2 P16083 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 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
SCHEMBL16097660 1.00 ABCB1 (0.39) ABCB1HASPINDYRK1AKITPDGFRA
SCHEMBL19458891 0.85 DYRK1A (0.53) HASPINDYRK1A
SCHEMBL30939919 0.85 DYRK1A (0.53) HASPINDYRK1A
SCHEMBL30939972 0.84 DYRK1A (0.47) HASPINDYRK1AALDH1A1NQO2PDE5A
SCHEMBL16123507 0.84 DYRK1A (0.47) HASPINDYRK1AALDH1A1NQO2PDE5A
SCHEMBL30939902 0.82 DYRK1A (0.55) HASPINDYRK1A
SCHEMBL16123596 0.82 DYRK1A (0.55) HASPINDYRK1A
SCHEMBL16123600 0.80 DYRK1A (0.38) ABCB1HASPINDYRK1AGAAPDE5A
SCHEMBL16123607 0.78 XDH (0.38) HASPINPDE5ASLC6A2SLC6A4
SCHEMBL16123621 0.78 ABCB1 (0.42) ABCB1HASPINALDH1A1GAA

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-113416187-B Alkylamine harmine derivatives for promoting bone growth 奥斯菲治疗有限公司 2024-07-19 — — CN disclosed
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