SCHEMBL28026976

SCHEMBL28026976

Nc1cccc(C#Cc2ccnc(Cl)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.50
FFAR1 O14842 2/20 0.45
ASIC3 Q9UHC3 2/20 0.44
GRM5 P41594 4/20 0.43
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PDK1 Q15118 1/20 0.40
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL10020217 0.80 GRM4 (0.64) GRM4FFAR1GRM5
SCHEMBL3581835 0.76 PIK3CA (0.44) FFAR1ASIC3GRM5PIK3CAMTOR
SCHEMBL2809759 0.74 ERN1 (0.49) ASIC3GRM5PIK3CAMTORPDK1
SCHEMBL4968126 0.74 CYP3A4 (0.58) FFAR1ASIC3PIK3CAMTORPDK1
SCHEMBL28421265 0.73 PTGDR2 (0.47) GRM4FFAR1GRM5
SCHEMBL4711036 0.73 GRM5 (0.67) GRM5
SCHEMBL26886953 0.73 ASIC3 (0.44) GRM4FFAR1ASIC3PIK3CAMTOR
SCHEMBL31139969 0.72 ASIC3 (0.49) FFAR1ASIC3PIK3CAMTORPDK1
SCHEMBL708798 0.71 FFAR1 (0.56) GRM4FFAR1GRM5
SCHEMBL10020221 0.71 FFAR1 (0.56) GRM4FFAR1GRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829613-B Diaryl-substituted pyrazolo ring derivative, preparation method thereof and application thereof in medical field 赤峰蒙广生物科技有限公司 2020-06-09 CN disclosed
CN-104829613-A Diaryl-substituted pyrazolo ring derivative and preparation method thereof, and applications of diaryl-substituted pyrazolo ring derivative in medicine field SHANGHAI ACEBRIGHT PHARMACEUTICALS GROUP CO LTD 2015-08-12 CN disclosed