SCHEMBL30516697

SCHEMBL30516697

Fc1ccc(-c2cc(OCC(F)F)c3ncnc(Cl)c3c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
FLT3 P36888 1/20 0.32
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
PIK3CA P42336 2/20 0.31
CLK1 P49759 1/20 0.31
JAK2 O60674 1/20 0.31
PIK3R1 P27986 1/20 0.31
SLC34A1 Q06495 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL24478613 1.00 GRM5 (0.37) GRM5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL22714646 0.83 GRM5 (0.43) GRM5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL29481383 0.83 GRM5 (0.43) GRM5CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL29631164 0.81 GRM5 (0.34) GRM5CYP1A2FLT3SYKAURKB
SCHEMBL24478743 0.80 PARP1 (0.38) FLT3SYKAURKBNTRK1NTRK3
SCHEMBL30516699 0.80 PARP1 (0.38) FLT3SYKAURKBNTRK1NTRK3
SCHEMBL24478400 0.76 USP2 (0.35) CYP1A2ALDH1A1MAPK1
SCHEMBL29631233 0.76 USP2 (0.35) CYP1A2ALDH1A1MAPK1
SCHEMBL24478325 0.75 EGFR (0.34) PIK3CA
SCHEMBL30516684 0.75 EGFR (0.34) PIK3CA

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-116601149-A Aminoquinazoline derivatives as P2X3 inhibitors 奇斯药制品公司 2023-08-15 CN disclosed