SCHEMBL29759692

SCHEMBL29759692

CCOC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
HPGD P15428 4/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
TBXAS1 P24557 1/20 0.38
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
DCTPP1 Q9H773 1/20 0.36

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
SCHEMBL24577485 1.00 TGFBR1 (0.42) TGFBR1HPGDNPC1TP53RAB9A
SCHEMBL29759559 0.88 TGFBR1 (0.42) TGFBR1HPGDNPC1TP53RAB9A
SCHEMBL30566541 0.87 TGFBR1 (0.34) TGFBR1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL24579118 0.87 TGFBR1 (0.34) TGFBR1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL24577809 0.84 TGFBR1 (0.43) TGFBR1HPGDNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL30566615 0.83 TGFBR1 (0.42) TGFBR1HPGDNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL29759531 0.83 TGFBR1 (0.42) TGFBR1HPGDNPC1TP53RAB9A
SCHEMBL24577988 0.81 FFAR4 (0.36) TGFBR1HPGDNPC1RAB9AL3MBTL1
SCHEMBL30809477 0.79 HPGD (0.41) TGFBR1HPGDNPC1TP53RAB9A
SCHEMBL30809480 0.79 HPGD (0.41) TGFBR1HPGDNPC1TP53RAB9A

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-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed