SCHEMBL7020729

SCHEMBL7020729

[CH2]n1cnc2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
LTA4H P09960 1/20 0.38
JAK2 O60674 9/20 0.35
JAK3 P52333 9/20 0.35
DAO P14920 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
CYP17A1 P05093 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
KCNH2 Q12809 1/20 0.32
AOC3 Q16853 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL25291568 0.83 FGFR1 (0.53) FGFR1LTA4HJAK2JAK3SMN1; SMN2
SCHEMBL13083686 0.77 FGFR1 (0.42) FGFR1LTA4HJAK2JAK3SMN1; SMN2
SCHEMBL84793 0.75 LTA4H (0.41) FGFR1LTA4HJAK2JAK3MAPT
SCHEMBL10280661 0.75 MAPK13 (0.39) FGFR1LTA4HJAK2JAK3SMN1; SMN2
SCHEMBL20097035 0.72 FGFR1 (0.36) FGFR1LTA4HJAK2JAK3SMN1; SMN2
SCHEMBL293614 0.71 TDP1 (0.54) FGFR1SMN1; SMN2POLB
SCHEMBL7105950 0.71 LTA4H (0.51) LTA4HSMN1; SMN2MAPT
SCHEMBL1106468 0.71 NFATC1 (0.45) FGFR1LTA4HJAK2JAK3SMN1; SMN2
SCHEMBL7975287 0.71 LTA4H (0.48) FGFR1LTA4HSMN1; SMN2MAPT
SCHEMBL11900775 0.69 FGFR1 (0.75) FGFR1JAK2JAK3CYP17A1

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-0946202-B1 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2003-09-10 EP disclosed
US-6051207-A PHOSPHATIDYLSERINE LINKED ISOXAZOLE SULFONAMIDE DERIVATIVES; DIAGNOSING AND IMAGING CARDIOVASCULAR DISORDERS NYCOMED IMAGING AS (NO) 2000-04-18 US disclosed