SCHEMBL30569745

SCHEMBL30569745

COc1cc(-c2ccc(F)cc2)cc2ccnnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
AURKB Q96GD4 1/20 0.43
FYN P06241 2/20 0.39
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDO2 P48775 2/20 0.37
IDO1 P14902 1/20 0.37
AHR P35869 1/20 0.37
SLC10A2 Q12908 1/20 0.37
PDE10A Q9Y233 5/20 0.37

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
SCHEMBL23904829 0.74 ACHE (0.41) PDGFRBPDGFRA
SCHEMBL24478653 0.73 FYN (0.46) PDGFRBPDGFRAJAK2JAK1TYK2
SCHEMBL24478445 0.73 KIT (0.42) PDGFRBPDGFRAJAK2JAK1TYK2
SCHEMBL30569750 0.73 NQO2 (0.49) PDE10APDE2APDE5APDE11A
SCHEMBL29804794 0.72 PDGFRB (0.52) PDGFRBPDGFRAJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL29665260 0.72 FYN (0.45) PDGFRBPDGFRAJAK2JAK1TYK2
SCHEMBL29665271 0.72 KIT (0.41) PDGFRBPDGFRAJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL28859453 0.71 PDGFRB (0.51) PDGFRBPDGFRAJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL29665261 0.71 FYN (0.44) PDGFRBPDGFRAJAK2JAK1TYK2
SCHEMBL23717242 0.71 HDAC4 (0.36) FYNCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583510-A (aza) quinolin-4-amine derivatives as P2X3 inhibitors 奇斯药制品公司 2023-08-11 CN disclosed