SCHEMBL30289899

SCHEMBL30289899

O=c1[nH]c(Nc2ccc(F)c(F)c2F)nc2c(Cl)ccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 7/20 0.41
▸ LCK P06239 4/20 0.38
▸ EGFR P00533 2/20 0.34
▸ SRC P12931 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ POLA1 P09884 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ TYMS P04818 1/20 0.31

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
SCHEMBL30289893 0.84 AKT1 (0.40) CXCR2LCKEGFRKDRNAMPT
SCHEMBL30289911 0.76 POLA1 (0.41) LCKEGFRSRCZAP70PARP1
SCHEMBL30289853 0.76 MAPT (0.48) LCKEGFRSRCZAP70PARP1
SCHEMBL30289906 0.73 POLA1 (0.57) LCKPOLA1
SCHEMBL30289871 0.70 KDM4E (0.49) CXCR2LCKEGFRSRCZAP70
SCHEMBL16306345 0.66 PARP1 (0.54) PARP1TYMS
SCHEMBL16306347 0.66 PARP1 (0.54) PARP1TYMS
SCHEMBL30289877 0.66 XDH (0.49) PARP1
SCHEMBL16306349 0.65 PARP1 (0.60) PARP1TYMS
SCHEMBL1996015 0.64 GAA (0.57) —

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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