SCHEMBL29601281

SCHEMBL29601281

CC(=O)c1c[nH]c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.54
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAP2K1 Q02750 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP1 P09874 1/20 0.42
HASPIN Q8TF76 1/20 0.42
PSMD14 O00487 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GRM4 Q14833 1/20 0.41
HAT1 O14929 1/20 0.41

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
SCHEMBL12479995 1.00 PBRM1 (0.54) PBRM1CYP2C19KDM4EMAP2K1HSD17B10
SCHEMBL29600892 0.84 TET2 (0.51) CYP2C19KDM4EPARP1PSMD14MAPT
SCHEMBL2816680 0.84 TET2 (0.51) CYP2C19KDM4EPARP1PSMD14MAPT
Hydrochloric Acid SCHEMBL2040536 0.83 TET2 (0.50) CYP2C19KDM4EPARP1PSMD14MAPT
SCHEMBL30436129 0.83 PARP1 (0.58) CYP2C19KDM4EPARP1PSMD14L3MBTL1
SCHEMBL1474939 0.83 PARP1 (0.58) CYP2C19KDM4EPARP1PSMD14L3MBTL1
SCHEMBL15389085 0.82 MAP2K1 (0.61) KDM4EMAP2K1PSMD14MAPTTDP1
SCHEMBL31753964 0.82 MAP2K1 (0.61) KDM4EMAP2K1PSMD14MAPTTDP1
SCHEMBL6432355 0.81 CYP2C19 (0.49) PBRM1CYP2C19KDM4EMAP2K1PARP1
Potassium Ion SCHEMBL7064340 0.80 CYP2C19 (0.46) PBRM1CYP2C19KDM4EMAP2K1PARP1

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-115109061-A Tricyclic compounds 北京加科思新药研发有限公司 2022-09-27 CN disclosed
CN-112513041-B Tricyclic compounds 北京加科思新药研发有限公司 2022-05-10 CN disclosed