SCHEMBL29844264

SCHEMBL29844264

CNc1nc(C)nc(Cl)c1CNC1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ CHRM4 P08173 1/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ GLA P06280 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PDCD1 Q15116 3/20 0.31
▸ CD274 Q9NZQ7 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NPY1R P25929 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
SCHEMBL27186195 1.00 PIK3CA (0.34) PIK3CASLC2A1CARM1CHRM4OPRL1
SCHEMBL12012377 0.71 PIK3CA (0.50) PIK3CACARM1CHRM4ALDH1A1MAPK1
SCHEMBL30853310 0.69 LMNA (0.31) HTT
SCHEMBL27186160 0.69 LMNA (0.31) HTT
SCHEMBL29168401 0.68 NUDT1 (0.43) PIK3CACHRM4OPRL1PDCD1CD274
SCHEMBL29844244 0.68 PDK2 (0.32) HTT
SCHEMBL27186297 0.68 PDK2 (0.32) HTT
SCHEMBL2488800 0.67 CTSK (0.44) PIK3CACHRM4PDCD1CD274
SCHEMBL2488799 0.67 CTSK (0.44) PIK3CACHRM4PDCD1CD274
SCHEMBL12012382 0.67 CTSK (0.44) PIK3CACHRM4PDCD1CD274

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
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
WO-2022187266-A1 NOVEL SUBSTITUTED BICYCLI AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 — — WO disclosed
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