SCHEMBL30566541

SCHEMBL30566541

O=C(O)c1cnn2cc(-c3cccnc3OCCF)sc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.34
NAPRT Q6XQN6 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
AGER Q15109 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL24579118 1.00 TGFBR1 (0.34) TGFBR1NAPRTALOX5APFEN1KDM4E
SCHEMBL24577485 0.87 TGFBR1 (0.42) TGFBR1KDM4ETDP1ALDH1A1MAPT
SCHEMBL29759692 0.87 TGFBR1 (0.42) TGFBR1KDM4ETDP1ALDH1A1MAPT
SCHEMBL29760051 0.85 DHODH (0.42) TGFBR1KDM4ETDP1ALDH1A1NPSR1
SCHEMBL24577988 0.81 FFAR4 (0.36) TGFBR1ALDH1A1TSHRL3MBTL1FFAR4
SCHEMBL30809497 0.77 TGFBR1 (0.32) TGFBR1FFAR4IRAK4
SCHEMBL29759601 0.76 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL24576864 0.76 HDAC6 (0.41) IRAK4
SCHEMBL30566471 0.76 TYK2 (0.45) TGFBR1IRAK4
SCHEMBL29759623 0.75 HDAC6 (0.41) TGFBR1IRAK4

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-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed