SCHEMBL30643204

SCHEMBL30643204

O=C(Nc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.62
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.60
CASP1 P29466 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
AURKA O14965 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
KCNE1 P15382 2/20 0.55
KCNQ1 P51787 2/20 0.55
KCNQ5 Q9NR82 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 2/20 0.53
PTGS1 P23219 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL15904287 0.86 TSHR (0.62) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL30362452 0.86 TSHR (0.62) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL1968503 0.85 ALOX15 (0.60) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL2194694 0.85 GRM5 (0.65) GRM5TSHRSMN1; SMN2KCNQ3KCNQ2
SCHEMBL15903185 0.85 ALOX15 (0.60) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL22243546 0.85 ALOX15 (0.60) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL30643210 0.81 CYP1A2 (0.61) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL17892572 0.81 CYP1A2 (0.61) GRM5TSHRALOX15CASP1NPSR1
SCHEMBL3476295 0.81 TSHR (0.67) GRM5TSHRALOX15CASP1NPSR1
Formic Acid SCHEMBL30595912 0.81 ALOX15 (0.55) GRM5TSHRALOX15CASP1NPSR1

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
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP claimed