SCHEMBL29665271

SCHEMBL29665271

COc1cc(-c2ccc(F)cc2)cc2c(Cl)cnnc12.[P+5]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
MAP3K11 Q16584 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
FYN P06241 2/20 0.39
MAPK10 P53779 1/20 0.38
TDO2 P48775 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
AURKB Q96GD4 1/20 0.37
IDO1 P14902 1/20 0.37
PDE10A Q9Y233 3/20 0.36
CD38 P28907 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
PDE2A O00408 2/20 0.35

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
SCHEMBL24478445 0.99 KIT (0.42) KITMAP3K11PDGFRBPDGFRAFYN
SCHEMBL24478653 0.83 FYN (0.46) KITMAP3K11PDGFRBPDGFRAFYN
Hydrochloric Acid SCHEMBL29665260 0.82 FYN (0.45) KITMAP3K11PDGFRBPDGFRAFYN
Hydrochloric Acid SCHEMBL29665261 0.81 FYN (0.44) KITMAP3K11PDGFRBPDGFRAFYN
SCHEMBL24478459 0.75 PDE10A (0.34) KITJAK2JAK1TYK2KDR
SCHEMBL22714762 0.74 KIT (0.43) KITMAP3K11PDGFRBPDGFRAFYN
SCHEMBL30885087 0.74 KIT (0.43) KITMAP3K11PDGFRBPDGFRAFYN
SCHEMBL29481398 0.73 KMT2A (0.42) KITMAP3K11PDGFRBPDGFRAFYN
SCHEMBL29665301 0.73 PIK3CD (0.44) KDM4E
SCHEMBL30569745 0.72 PDGFRB (0.47) KITPDGFRBPDGFRAFYNTDO2

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
EP-4251617-A1 (AZA)QUINOLINE 4-AMINES DERIVATIVES AS P2X3 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-10-04 EP disclosed
WO-2022112491-A1 (AZA)QUINOLINE 4-AMINES DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-02 WO disclosed