SCHEMBL9738685

SCHEMBL9738685

CNc1ncc2ncn(Cc3c(F)cccc3F)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.47
MERTK Q12866 2/20 0.47
FLT3 P36888 1/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
TYRO3 Q06418 1/20 0.47
RPS6KA3 P51812 2/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
PDE5A O76074 2/20 0.40
PDE4A P27815 2/20 0.40
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE1C Q14123 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 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
SCHEMBL9738442 0.86 PDE4A (0.56) ADORA2AADORA1RPS6KA3MAPK8MAPK9
SCHEMBL9738831 0.80 FGFR1 (0.50) AXLMERTKFLT3ADORA2AADORA1
SCHEMBL9738462 0.80 AXL (0.65) AXLMERTKFLT3ADORA2AADORA1
SCHEMBL9739221 0.79 ALDH1A1 (0.46) AXLMERTKFLT3ADORA2AADORA1
SCHEMBL9738479 0.79 AXL (0.53) AXLMERTKFLT3ADORA2AADORA1
SCHEMBL10442404 0.78 ADORA2A (0.51) ADORA2AADORA1MAPK8MAPK9MAPK10
SCHEMBL8826403 0.77 CYP1A2 (0.41) ADORA2AADORA1RPS6KA3MAPK8MAPK9
SCHEMBL9741179 0.77 CCR4 (0.48) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL9738497 0.77 AXL (0.51) AXLMERTKFLT3ADORA2AADORA1
SCHEMBL9739236 0.73 AXL (0.52) AXLMERTKFLT3ADORA2AADORA1

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
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed