SCHEMBL30124192

SCHEMBL30124192

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.83
KDR P35968 4/20 0.83
FBP1 P09467 2/20 0.83
ERBB2 P04626 2/20 0.83
AURKA O14965 1/20 0.83
INSR P06213 1/20 0.83
PDGFRB P09619 1/20 0.83
FLT4 P35916 1/20 0.83
CLK1 P49759 1/20 0.83
EPHB4 P54760 1/20 0.83
TEK Q02763 1/20 0.83
AURKB Q96GD4 1/20 0.83
RAF1 P04049 1/20 0.76
BRAF P15056 1/20 0.76
RET P07949 2/20 0.72
KIF5B P33176 2/20 0.72
RIPK2 O43353 1/20 0.72
NOD1 Q9Y239 1/20 0.72
ERBB4 Q15303 1/20 0.68
ERBB3 P21860 1/20 0.67

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
SCHEMBL29679736 1.00 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
SCHEMBL8383 1.00 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL28040041 0.99 EGFR (0.81) EGFRKDRFBP1ERBB2AURKA
Hydrochloric Acid SCHEMBL27915151 0.98 EGFR (0.80) EGFRKDRFBP1ERBB2AURKA
SCHEMBL3238800 0.96 EGFR (0.83) EGFRKDRFBP1ERBB2AURKA
Acetic Acid SCHEMBL29234690 0.95 EGFR (0.75) EGFRKDRFBP1ERBB2AURKA
SCHEMBL13006609 0.93 EGFR (0.71) EGFRKDRFBP1ERBB2AURKA
SCHEMBL14515606 0.91 KDR (0.72) EGFRKDRFBP1ERBB2AURKA
SCHEMBL2099106 0.91 EGFR (1.00) EGFRKDRFBP1ERBB2AURKA
SCHEMBL30505605 0.91 EGFR (1.00) EGFRKDRFBP1ERBB2AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283977-A1 USE OF PREPARATION FOR INHIBITING OR BLOCKING INTERACTION BETWEEN FAAH AND NLRP3 华南理工大学 2023-01-19 WO disclosed
CN-115616216-A Use of an agent that inhibits or blocks the interaction between FAAH and NLRP3 华南理工大学 2023-01-17 CN disclosed