SCHEMBL28653370

SCHEMBL28653370

Cc1ccc2c(n1)c(Br)nn2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35
GRM5 P41594 2/20 0.34
SSTR4 P31391 1/20 0.33
FAAH O00519 1/20 0.33
BRD4 O60885 2/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.33
GPR119 Q8TDV5 4/20 0.32
BCHE P06276 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL31039876 1.00 MAP2K4 (0.35) MAP2K4GRM5SSTR4FAAHBRD4
SCHEMBL17916962 0.84 GABRG2 (0.36) MAP2K4GRM5SSTR4FAAHBRD4
SCHEMBL31092006 0.83 MAP2K4 (0.40) MAP2K4FAAHBRD4MAPTELANE
SCHEMBL2361004 0.78 POLB (0.41) MAP2K4GRM5SSTR4FAAHBRD4
SCHEMBL29640143 0.78 POLB (0.41) MAP2K4GRM5SSTR4FAAHBRD4
SCHEMBL2674135 0.73 MAP2K4 (0.44) MAP2K4FAAHELANEBCHEP2RX3
SCHEMBL15541538 0.72 MAP2K4 (0.43) MAP2K4SSTR4BRD4ELANEGABRG2
SCHEMBL16606155 0.71 L3MBTL1 (0.40) GRM5SSTR4BRD4GPR119BCHE
SCHEMBL24148158 0.71 MAP2K4 (0.43) MAP2K4BCHE
SCHEMBL29913685 0.70 SSTR4 (0.39) GRM5SSTR4BRD4GPR119BCHE

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-113412259-B Difunctional compounds for degrading BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2024-07-16 CN disclosed
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 CN disclosed