SCHEMBL30103027

SCHEMBL30103027

COc1ccc(-c2ncc(CBr)cn2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
CYP17A1 P05093 1/20 0.49
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGDS O60760 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
AR P10275 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 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
SCHEMBL30103141 0.88 KDM1A (0.42) PDGFRBPDGFRACYP17A1HPGDSFYN
SCHEMBL24785077 0.88 KDM1A (0.42) PDGFRBPDGFRACYP17A1HPGDSFYN
SCHEMBL24785367 0.85 PDGFRB (0.51) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL2860140 0.83 PDGFRB (0.55) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL30103108 0.83 CYP17A1 (0.50) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL24785848 0.83 CYP17A1 (0.50) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL9815140 0.80 RARB (0.52) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL9815142 0.80 RARB (0.52) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL19876623 0.78 PDGFRB (0.55) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A
SCHEMBL30103109 0.76 PDGFRB (0.48) PDGFRBPDGFRACYP17A1ALDH1A1RAB9A

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed