SCHEMBL24578957

SCHEMBL24578957

CC1NC=C(NC(=O)CN2CCCCCC2)C=C1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL24579106 0.99 RAB9A (0.34) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL24577394 0.90 POLB (0.33) POLB
SCHEMBL24577267 0.89 WNT1 (0.33) POLBWNT1GSK3BDYRK1A
SCHEMBL24577557 0.88 — —
SCHEMBL24577048 0.88 WNT1 (0.31) WNT1GSK3BDYRK1A
SCHEMBL24577841 0.87 GSK3B (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL24578541 0.87 — —
SCHEMBL24577373 0.87 GSK3B (0.39) POLBWNT1GSK3BDYRK1A
SCHEMBL24578968 0.86 GSK3B (0.35) WNT1GSK3BDYRK1A
SCHEMBL24579061 0.86 POLB (0.30) POLB

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
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
Send feedback