SCHEMBL6696018

SCHEMBL6696018

CCN(Cc1ccncc1)C(=O)c1cnc(SC)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 6/20 0.44
▸ PDE4B Q07343 2/20 0.43
▸ SYK P43405 4/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ PKMYT1 Q99640 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE11A Q9HCR9 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL6695293 0.79 PDE4B (0.54) STAT6PDE4BSYKPKMYT1BTK
SCHEMBL6701139 0.78 PDE4B (0.53) STAT6PDE4BSYKPKMYT1BTK
SCHEMBL6696056 0.78 SYK (0.68) SYKALDH1A1MAPTHTTLMNA
SCHEMBL6695716 0.78 SYK (0.53) STAT6PDE4BSYKPKMYT1BTK
Hydrochloric Acid SCHEMBL6697409 0.78 PDE4B (0.52) STAT6PDE4BSYKPKMYT1BTK
SCHEMBL6690699 0.73 SYK (0.47) STAT6PDE4BSYKPKMYT1BTK
SCHEMBL6691958 0.73 STAT6 (0.46) STAT6PDE4BSYKPKMYT1BTK
SCHEMBL6705299 0.72 STAT6 (0.45) STAT6PDE4BSYKPKMYT1BTK
SCHEMBL6692523 0.71 SYK (0.49) STAT6PDE4BSYKMAPTHTT
SCHEMBL31357058 0.71 SYK (0.52) STAT6PDE4BSYKPKMYT1BTK

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
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