SCHEMBL30103025

SCHEMBL30103025

COc1cccc(-c2ncc(CBr)cn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.63
DYRK1A Q13627 4/20 0.63
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
NR1H2 P55055 2/20 0.45

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
SCHEMBL24785078 1.00 CLK4 (0.63) CLK4DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL20705844 0.86 CLK4 (0.65) CLK4DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL29786736 0.84 CYP4F2 (0.51) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL28810947 0.84 CYP4F2 (0.51) CLK4DYRK1ACYP1A2CYP3A4CYP2D6
SCHEMBL24785094 0.84 CLK4 (0.63) CLK4DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL17864721 0.80 DYRK1A (0.71) CLK4DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL30103056 0.80 CLK4 (0.56) CLK4PDGFRBPDGFRAMEN1KMT2A
SCHEMBL27807278 0.79 DYRK1A (0.69) CLK4DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL27785384 0.79 DYRK1A (0.69) CLK4DYRK1APDGFRBPDGFRACYP1A2
SCHEMBL4936949 0.78 MAOB (0.54) CLK4DYRK1ACYP1A2CYP3A4CYP2D6

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