SCHEMBL30739211

SCHEMBL30739211

Oc1ccc(-n2ccc3ncnc(O)c32)cc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
ESRRA P11474 2/20 0.34
MIF P14174 2/20 0.32
CAPN1 P07384 1/20 0.31
THRB P10828 1/20 0.31
AR P10275 1/20 0.31
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL29178645 1.00 ESR1 (0.43) ESR1ESR2ESRRAMIFCAPN1
SCHEMBL29178941 0.86 ESR1 (0.41) ESR1ESR2ESRRACAPN1
SCHEMBL1014014 0.68 ESRRA (0.39) ESR1ESR2ESRRACAPN1
SCHEMBL1014457 0.66 ESRRA (0.45) ESR1ESR2ESRRACAPN1
SCHEMBL4287549 0.64 KDR (0.43)
SCHEMBL4274776 0.64 ESR1 (0.44) ESR1ESR2ESRRAMIFCAPN1
SCHEMBL16720493 0.63 ESR1 (0.35) ESR1ESR2ESRRAMIFCAPN1
SCHEMBL1727305 0.63 HSD17B1 (0.43) ESR1ESR2ESRRACAPN1
SCHEMBL1014234 0.63 ESRRA (0.39) ESR1ESR2ESRRACAPN1THRB
SCHEMBL1017182 0.63 ESRRA (0.39) ESR1ESR2ESRRACAPN1

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