SCHEMBL27362325

SCHEMBL27362325

Cc1nsc(NC(=O)n2ccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.40
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ GCK P35557 2/20 0.36
▸ ROCK2 O75116 1/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CD38 P28907 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 2/20 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
SCHEMBL595105 0.77 MAPT (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL595893 0.74 SMN1; SMN2 (0.52) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL25297161 0.73 KMT2A (0.44) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL22021179 0.72 ALDH1A1 (0.36) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL595719 0.72 MEN1 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL1885511 0.71 PIK3CD (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31593989 0.71 AQP4 (0.46) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL1884261 0.71 PIK3CG (0.38) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL3759738 0.70 GRM1 (0.49) GRM1GCKROCK2SMN1; SMN2LMNA
SCHEMBL29089052 0.70 PIK3CG (0.39) SMN1; SMN2LMNANPC1RAB9AMEN1

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-2024050433-A1 ALLOSTERIC MODULATORS OF ANDROGEN RECEPTOR COACTIVATOR RECRUITMENT FOR CRPC THERAPY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-03-07 — — WO disclosed
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