SCHEMBL5215584

SCHEMBL5215584

CC(C)(C)c1ccc(OCc2ccccc2)c(Cc2ccnc(N)c2N)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ MRGPRX1 Q96LB2 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL5214956 0.82 CCR5 (0.52) LTA4HMAPK14PTGER1
SCHEMBL5215267 0.78 ABCB1 (0.47) —
SCHEMBL5244112 0.77 CYP11B1 (0.52) LTA4HMAPK14
SCHEMBL8264992 0.77 BACE1 (0.60) LTA4HMAPK14MRGPRX4MRGPRX1
SCHEMBL20147117 0.76 MRGPRX4 (0.53) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL769497 0.75 RXRA (0.50) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL768907 0.75 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRGELANE
SCHEMBL5247113 0.74 BACE1 (0.67) LTA4HMAPK14ALOX5AP
SCHEMBL19483249 0.73 MRGPRX4 (0.55) MRGPRX4RXRARXRBRXRG
SCHEMBL784604 0.72 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGPTGER1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO disclosed
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