SCHEMBL30289900

SCHEMBL30289900

O=c1[nH]c(Nc2cc(F)cc(F)c2)nc2c(Br)cc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.43
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ NCOR2 Q9Y618 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ EGFR P00533 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ PARP4 Q9UKK3 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
SCHEMBL30289793 0.84 MAPT (0.55) LCKMEN1KMT2AMAPK1MAPT
SCHEMBL30289861 0.84 LCK (0.43) LCKMEN1KMT2AMAPK1MAPT
SCHEMBL30289914 0.77 PARP1 (0.56) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL30289811 0.76 MAPT (0.40) LCKMEN1KMT2AMAPTKDM4E
SCHEMBL30289841 0.73 MAPT (0.40) LCKMEN1KMT2AMAPTKDM4E
SCHEMBL30289917 0.73 PARP1 (0.54) MEN1KMT2AMAPTKDM4ETAAR1
SCHEMBL30289960 0.72 MAPT (0.47) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL30289854 0.71 KDM4E (0.71) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL30289806 0.70 MAPT (0.45) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL30289911 0.69 POLA1 (0.41) LCKMEN1KMT2AMAPTKDM4E

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
Send feedback