SCHEMBL6692523

SCHEMBL6692523

CCOC(=O)CN1CCN(C(=O)c2cnc(SC)nc2Nc2ccc(N3CCOCC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.49
▸ MAPT P10636 10/20 0.49
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 8/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ MC4R P32245 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ STAT6 P42226 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PDE4B Q07343 1/20 0.43

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
SCHEMBL6691958 0.89 STAT6 (0.46) SYKMAPTSMN1; SMN2STAT6PDE4B
SCHEMBL6705299 0.88 STAT6 (0.45) SYKMAPTSMN1; SMN2PTK2BSTAT6
SCHEMBL6690706 0.85 SYK (0.49) SYKSTAT6PDE4B
SCHEMBL6696056 0.84 SYK (0.68) SYKMAPTLMNAGAASMN1; SMN2
SCHEMBL6695716 0.79 SYK (0.53) SYKMAPTLMNAGAASTAT6
SCHEMBL6695293 0.79 PDE4B (0.54) SYKPTK2BSTAT6PDE4B
SCHEMBL6701139 0.78 PDE4B (0.53) SYKPTK2BSTAT6PDE4B
Hydrochloric Acid SCHEMBL6697409 0.77 PDE4B (0.52) SYKPTK2BSTAT6PDE4B
SCHEMBL5381175 0.77 AURKA (0.47) MAPTLMNAGAASMN1; SMN2TDP1
SCHEMBL6696018 0.71 STAT6 (0.44) SYKMAPTLMNAHTTSTAT6

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-2004108068-A2 4-[4-(4-MORPHOLINO)ANILINO]PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2004-12-16 — — WO disclosed
Send feedback