SCHEMBL28994232

SCHEMBL28994232

O=C(O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.62
SORT1 Q99523 2/20 0.58
GRM5 P41594 1/20 0.54
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DEGS1 O15121 1/20 0.51
AURKA O14965 1/20 0.51
PTGS1 P23219 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SRD5A2 P31213 1/20 0.49

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
SCHEMBL1968503 0.90 ALOX15 (0.60) BTKSORT1GRM5ALOX15TSHR
SCHEMBL17392022 0.89 DEGS1 (0.62) BTKSORT1GRM5ALOX15TSHR
SCHEMBL30050714 0.87 GRM5 (0.53) BTKSORT1GRM5ALOX15TSHR
SCHEMBL28994215 0.87 BTK (0.53) BTKSORT1GRM5ALOX15TSHR
SCHEMBL26075655 0.87 NPC1 (0.60) BTKSORT1GRM5ALOX15TSHR
SCHEMBL16604279 0.87 SORT1 (0.60) BTKSORT1GRM5ALOX15TSHR
SCHEMBL28953974 0.87 PTGS1 (0.67) BTKSORT1GRM5ALOX15TSHR
SCHEMBL16594252 0.87 GRM5 (0.53) BTKSORT1GRM5ALOX15TSHR
SCHEMBL28994195 0.87 GRM5 (0.53) BTKSORT1GRM5ALOX15TSHR
SCHEMBL16835150 0.85 BTK (0.52) BTKSORT1GRM5ALOX15TSHR

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-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 CN disclosed