SCHEMBL29178804

SCHEMBL29178804

COc1ccc(CNc2ncnc3cc(-c4ccc(OC(N)=O)cc4)n(-c4ccc(OCc5ccccc5)c(F)c4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.42
PPARD Q03181 4/20 0.42
EGFR P00533 5/20 0.41
POLB P06746 1/20 0.40
NR2F2 P24468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL29178896 0.88 AURKA (0.40) EGFRPOLBNR2F2ALDH1A1KDM4E
SCHEMBL29178752 0.88 AURKA (0.41) FFAR1PPARDEGFRPOLBNR2F2
SCHEMBL29178748 0.84 MDM2 (0.39) FFAR1PPARD
SCHEMBL29178641 0.83 EGFR (0.41) EGFRPOLBNR2F2ALDH1A1KDM4E
SCHEMBL29178925 0.80 PTGER1 (0.38) FFAR1PPARDPPARA
SCHEMBL29178926 0.79 MDM2 (0.36) FFAR1PPARD
SCHEMBL29178883 0.78 EGFR (0.48) EGFRPOLBNR2F2ALDH1A1KDM4E
SCHEMBL30739262 0.76 MEN1 (0.38) EGFRPOLBNR2F2ALDH1A1LMNA
SCHEMBL29178709 0.75 EGFR (0.40) EGFRPOLBNR2F2ALDH1A1KDM4E
SCHEMBL29178732 0.75 AURKA (0.43) EGFRPOLBNR2F2KDM4ELMNA

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
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed