SCHEMBL6705299

SCHEMBL6705299

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 2/20 0.45
▸ SYK P43405 6/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ PKMYT1 Q99640 2/20 0.43
▸ INSR P06213 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ ALK Q9UM73 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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 0.91 STAT6 (0.46) STAT6SYKPDE4BMAPTPKMYT1
SCHEMBL6690706 0.90 SYK (0.49) STAT6SYKPDE4BALK
SCHEMBL6692523 0.88 SYK (0.49) STAT6SYKPDE4BMAPTPTK2B
SCHEMBL6695293 0.81 PDE4B (0.54) STAT6SYKPDE4BPKMYT1INSR
SCHEMBL6701139 0.80 PDE4B (0.53) STAT6SYKPDE4BPKMYT1INSR
SCHEMBL6695716 0.79 SYK (0.53) STAT6SYKPDE4BMAPTPKMYT1
Hydrochloric Acid SCHEMBL6697409 0.79 PDE4B (0.52) STAT6SYKPDE4BPKMYT1INSR
SCHEMBL6696056 0.78 SYK (0.68) SYKMAPTPTK2BSMN1; SMN2
SCHEMBL5815015 0.76 AURKA (0.47) STAT6MAPTIGF1RSMN1; SMN2
SCHEMBL14067297 0.74 LRRK2 (0.48) PDE4BCCNA2CDK2

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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