SCHEMBL29178802

SCHEMBL29178802

Cc1c(-c2ccc(N)cn2)n(-c2ccc(OCc3ccccc3)c(F)c2)c2c(O)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PTGER1 P34995 7/20 0.34
ERN1 O75460 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.32
KDM1A O60341 2/20 0.32
FEN1 P39748 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 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
SCHEMBL30739350 1.00 CYP19A1 (0.34) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL29178783 0.90 ERN1 (0.38) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL29178855 0.89 PTGER1 (0.34) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL30739319 0.89 PTGER1 (0.34) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL29178900 0.88 MRGPRX4 (0.33) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL30739285 0.88 MRGPRX4 (0.33) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL29178946 0.87 KDM1A (0.35) PTGER1ERN1S1PR5MRGPRX4KDM1A
SCHEMBL30739338 0.86 ERN1 (0.36) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL29178786 0.86 ERN1 (0.36) CYP19A1CYP11B1CYP11B2PTGER1ERN1
SCHEMBL29178634 0.83 EGFR (0.39)

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