SCHEMBL28302004

SCHEMBL28302004

Clc1ccc(-n2ccnc2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.53
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDR P35968 4/20 0.48
KDM4E B2RXH2 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
GLA P06280 1/20 0.43
PTGS2 P35354 1/20 0.43
P2RX4 Q99571 1/20 0.43

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
SCHEMBL5319319 0.91 MAPKAPK2 (0.60) MAPKAPK2MAPK9MAPK10MEN1ALDH1A1
Benzene SCHEMBL27839441 0.87 MAPK9 (0.54) MAPK9MAPK10KDRCYP1A2CYP3A4
SCHEMBL528245 0.87 MAPK9 (0.54) MAPK9MAPK10KDRCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27683877 0.85 MAPK9 (0.53) MAPK9MAPK10KDRCYP1A2CYP3A4
SCHEMBL27729355 0.85 MAPKAPK2 (0.55) MAPKAPK2MAPK9MAPK10KDRPTGS2
SCHEMBL26562756 0.84 KDR (0.55) MAPK9MAPK10LMNAKDRKDM4E
SCHEMBL13772768 0.83 MAPK9 (0.51) MAPK9MAPK10KDRP2RX4
SCHEMBL20918400 0.83 MAPK9 (0.51) MAPK9MAPK10LMNAKDRKDM4E
SCHEMBL17743635 0.83 MAPK9 (0.51) MAPK9MAPK10HSD17B10KDRCYP3A4
SCHEMBL10035798 0.83 MAPK9 (0.51) MAPK9MAPK10LMNAKDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286629-B Method for preparing medicine intermediate 3-anilioimidazole [1,2-a ] pyridine derivative through catalysis 安徽工业大学 2023-06-23 CN disclosed
CN-115286629-A Method for preparing medical intermediate 3-phenylamino imidazole [1,2-a ] pyridine derivative through catalysis 安徽工业大学 2022-11-04 CN disclosed
CN-109776529-A A kind of synthetic method and application of 1,2- diones imidazole heterocyclic compounds 国家烟草质量监督检验中心 2019-05-21 CN disclosed