SCHEMBL29178786

SCHEMBL29178786

COc1cc(N)cnc1-c1c(C)c2ncnc(O)c2n1-c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
CSF1R P07333 6/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGER1 P34995 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
PIK3CA P42336 1/20 0.32
HDAC1 Q13547 1/20 0.32
IGF1R P08069 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32

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
SCHEMBL30739338 1.00 ERN1 (0.36) ERN1CSF1RCYP19A1CYP11B1CYP11B2
SCHEMBL29178855 0.94 PTGER1 (0.34) ERN1CYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL30739319 0.94 PTGER1 (0.34) ERN1CYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL30739285 0.92 MRGPRX4 (0.33) ERN1CYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL29178900 0.92 MRGPRX4 (0.33) ERN1CYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL30739408 0.91 ERN1 (0.35) ERN1CSF1RCYP19A1CYP11B1CYP11B2
SCHEMBL29178833 0.91 ERN1 (0.35) ERN1CSF1RCYP19A1CYP11B1CYP11B2
SCHEMBL30739350 0.86 CYP19A1 (0.34) ERN1CYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL29178802 0.86 CYP19A1 (0.34) ERN1CYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL29178783 0.86 ERN1 (0.38) ERN1CYP19A1CYP11B1CYP11B2PTGER1

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