SCHEMBL30289842

SCHEMBL30289842

O=c1[nH]c(Nc2cc(F)cc(F)c2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ C1R P00736 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DYRK1B Q9Y463 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL30289790 0.86 MAPT (0.46) KDM4EMEN1MAPTKMT2AHTT
SCHEMBL30289904 0.82 MAPT (0.52) KDM4EMEN1MAPTKMT2APARP1
SCHEMBL30289854 0.80 KDM4E (0.71) KDM4EMEN1MAPTKMT2APARP1
SCHEMBL30289960 0.79 MAPT (0.47) KDM4EMEN1MAPTKMT2AHTT
SCHEMBL30289867 0.78 RIPK1 (0.49) KDM4EMEN1MAPTKMT2APARP1
SCHEMBL30289806 0.76 MAPT (0.45) KDM4EMEN1MAPTKMT2AHTT
SCHEMBL23066107 0.74 PKM (0.64) KDM4EMEN1MAPTKMT2AHTT
SCHEMBL30289840 0.73 MEN1 (0.53) KDM4EMEN1MAPTKMT2AHTT
SCHEMBL30289922 0.72 TAAR1 (0.52) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL30289841 0.71 MAPT (0.40) KDM4EMEN1MAPTKMT2AHTT

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
WO-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 — — WO disclosed
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