SCHEMBL30939972

SCHEMBL30939972

Cc1nc(F)cc2c3ccc(O)cc3n(CCN(C)C)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ HASPIN Q8TF76 2/20 0.40
▸ WEE1 P30291 3/20 0.36
▸ PTGER4 P35408 3/20 0.34
▸ CHEK1 O14757 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 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
SCHEMBL16123507 1.00 DYRK1A (0.47) DYRK1AHTR2AHTR2CHASPINWEE1
SCHEMBL16123600 0.89 DYRK1A (0.38) DYRK1AHTR2AHTR2CHASPINPDE5A
SCHEMBL16097660 0.84 ABCB1 (0.39) DYRK1AHASPINPDE5ANQO2ALDH1A1
SCHEMBL30939901 0.84 ABCB1 (0.39) DYRK1AHASPINPDE5ANQO2ALDH1A1
SCHEMBL16123510 0.84 DYRK1A (0.69) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL30939905 0.84 DYRK1A (0.69) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL16123581 0.81 PER2 (0.34) DYRK1AHTR2AHTR2CHASPINPDE5A
SCHEMBL30939987 0.81 PER2 (0.34) DYRK1AHTR2AHTR2CHASPINPDE5A
SCHEMBL30939988 0.81 DYRK1A (0.71) DYRK1AHTR2AHTR2CHASPIN
SCHEMBL16123659 0.81 DYRK1A (0.71) DYRK1AHTR2AHTR2CHASPIN

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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