SCHEMBL28448235

SCHEMBL28448235

COC(=O)C(c1ncc(F)cc1F)c1ncc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
AGBL2 Q5U5Z8 1/20 0.35
GRM5 P41594 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
BDKRB1 P46663 1/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
SSTR4 P31391 1/20 0.33
PTGER4 P35408 1/20 0.32
OPRK1 P41145 1/20 0.32
ALPL P05186 1/20 0.32
ADORA2A P29274 1/20 0.32
P2RX3 P56373 1/20 0.32
SYK P43405 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL21862847 0.87 MAPK1 (0.51) MAPK1AGBL2GRM5NPC1RAB9A
SCHEMBL12985296 0.74 MEN1 (0.44) MAPK1AGBL2NPC1RAB9APOLB
SCHEMBL588356 0.72 L3MBTL1 (0.43) BDKRB1PTGER4
SCHEMBL588357 0.72 L3MBTL1 (0.43) BDKRB1PTGER4
SCHEMBL4019098 0.72 MAPK1 (0.39) MAPK1AGBL2GRM5PTGER4
SCHEMBL3944958 0.72 AGBL2 (0.38) MAPK1AGBL2GRM5S1PR1S1PR3
SCHEMBL29106422 0.72 KMT2A (0.35) MAPK1AGBL2GRM5NPC1RAB9A
SCHEMBL29376655 0.71 APP (0.36) AGBL2NPC1RAB9ABDKRB1
SCHEMBL29106370 0.71 KCNH2 (0.33) AGBL2POLBBDKRB1SSTR4PTGER4
SCHEMBL4198174 0.71 APLNR (0.33) AGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279852-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2023-01-17 CN disclosed
CN-111635408-B Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-07-22 CN disclosed
CN-112279852-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN disclosed
CN-111635408-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-09-08 CN disclosed
CN-111601809-A Triazolo-pyrimidine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-08-28 CN disclosed