SCHEMBL29277038

SCHEMBL29277038

CC1Cc2nc(Cl)nc(NC3(CO)CCC3)c2S1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 3/20 0.32
▸ LATS2 Q9NRM7 2/20 0.32
▸ MAPK1 P28482 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ GAA P10253 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL30678842 1.00 LATS1 (0.32) LATS1LATS2MAPK1KDM4EMEN1
SCHEMBL21718437 0.83 LATS1 (0.30) LATS1
SCHEMBL14734141 0.76 LATS1 (0.33) LATS1LATS2
SCHEMBL30639334 0.76 LATS1 (0.33) LATS1LATS2
SCHEMBL30678844 0.75 PDE4B (0.34) LATS1LATS2
SCHEMBL29277041 0.75 PDE4B (0.34) LATS1LATS2
SCHEMBL30678839 0.74 LATS1 (0.31) LATS1LATS2
SCHEMBL373964 0.70 — —
SCHEMBL30678856 0.67 MAPK1 (0.38) MAPK1KDM4EGAAHSD17B10TSHR
SCHEMBL14734142 0.67 LATS1 (0.32) LATS1LATS2

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-117247394-A Nitrogen-containing heterocycles as PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 — — CN disclosed
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