SCHEMBL4791129

SCHEMBL4791129

O=C(Nc1cccc(C#Cc2cnc(NCCCN3CCOCC3)nc2)c1)Nc1cc(CC2CC2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 7/20 0.42
▸ HTR2A P28223 2/20 0.41
▸ EPHX2 P34913 10/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ FGFR1 P11362 1/20 0.39

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
SCHEMBL4791064 0.93 CCR3 (0.42) CCR3HTR2AFGFR1
SCHEMBL4791492 0.80 KDR (0.43) CCR3LCK
SCHEMBL4717742 0.79 LCK (0.43) EPHX2CSNK2A1LCKMAPK14FGFR1
SCHEMBL4714363 0.78 FLT3 (0.48) EPHX2CSNK2A1LCKMAPK14
SCHEMBL4715839 0.77 LCK (0.52) EPHX2LCKMAPK14
SCHEMBL4716479 0.77 BRAF (0.54) —
SCHEMBL4718731 0.77 MAPK14 (0.49) EPHX2LCKMAPK14FGFR1
SCHEMBL4717256 0.76 FLT3 (0.47) EPHX2CSNK2A1LCKMAPK14FGFR1
SCHEMBL4717402 0.76 MCHR1 (0.51) CCR3HTR2AEPHX2FGFR1
SCHEMBL4881029 0.74 MAPK14 (0.54) CSNK2A1LCKMAPK14

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 — — EP claimed
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