SCHEMBL28097055

SCHEMBL28097055

COc1ccc(Cc2ncccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
CLK4 Q9HAZ1 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
IDO1 P14902 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE10A Q9Y233 1/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11568748 0.82 ALDH1A1 (0.54) LTA4HSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL27922177 0.82 LTA4H (0.47) LTA4HSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL30617050 0.81 LTA4H (0.59) LTA4HSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL27943923 0.80 PDE3B (0.48) LTA4HCLK4SMN1; SMN2LMNAALDH1A1
SCHEMBL2751117 0.79 L3MBTL1 (0.59) LTA4HCLK4SMN1; SMN2LMNAALDH1A1
SCHEMBL2475247 0.79 ALDH1A1 (0.51) LTA4HSMN1; SMN2LMNAALDH1A1NPC1
Ammonia Solution, Strong SCHEMBL26627788 0.79 PDE3B (0.47) LTA4HCLK4SMN1; SMN2LMNAALDH1A1
SCHEMBL25986524 0.78 LTA4H (0.81) LTA4HSMN1; SMN2LMNAALDH1A1CYP2D6
SCHEMBL27884 0.78 LTA4H (0.81) LTA4HSMN1; SMN2LMNAALDH1A1CYP2D6
SCHEMBL1425001 0.78 LTA4H (0.81) LTA4HSMN1; SMN2LMNAALDH1A1CYP2D6

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-108137510-A Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-06-08 CN disclosed
CN-105916848-B Kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2018-01-09 CN disclosed
CN-105916848-A Kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2016-08-31 CN disclosed