SCHEMBL30289911

SCHEMBL30289911

O=c1[nH]c(Nc2cc(F)cc(F)c2)nc2c(Cl)ccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LCK P06239 3/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30289853 0.86 MAPT (0.48) POLA1LCKMAPTMEN1KMT2A
SCHEMBL30289906 0.83 POLA1 (0.57) POLA1LCKMAPTMEN1KMT2A
SCHEMBL30289841 0.82 MAPT (0.40) POLA1TAAR1LCKMAPTMEN1
SCHEMBL30289893 0.81 AKT1 (0.40) LCKKDM4EEGFRSMN1; SMN2ALDH1A1
SCHEMBL30289811 0.77 MAPT (0.40) POLA1TAAR1LCKMAPTMEN1
SCHEMBL30289798 0.76 MAPT (0.45) TAAR1MAPTMEN1KMT2AKDM4E
SCHEMBL30289899 0.76 CXCR2 (0.41) POLA1LCKEGFRSRCZAP70
SCHEMBL30289806 0.74 MAPT (0.45) POLA1TAAR1MAPTMEN1KMT2A
SCHEMBL30289871 0.71 KDM4E (0.49) LCKKDM4EEGFRSRCZAP70
SCHEMBL30289914 0.70 PARP1 (0.56) TAAR1MAPTMEN1KMT2AKDM4E

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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