SCHEMBL9739894

SCHEMBL9739894

CNc1nc(N)nc2c1ncn2Cc1c(F)cccc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.64
MERTK Q12866 2/20 0.64
FLT3 P36888 1/20 0.64
TYRO3 Q06418 1/20 0.62
ADORA2A P29274 2/20 0.59
ADORA1 P30542 1/20 0.59
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
PDE5A O76074 2/20 0.55
PDE1A P54750 2/20 0.55
PDE1B Q01064 2/20 0.55
PDE1C Q14123 2/20 0.55
YTHDC1 Q96MU7 7/20 0.52
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51

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
SCHEMBL9739023 0.87 PDE4A (0.72) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL9738462 0.86 AXL (0.65) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL9738492 0.85 YTHDC1 (0.70) AXLMERTKFLT3TYRO3YTHDC1
SCHEMBL25547346 0.84 ADORA2A (0.63) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL9740123 0.83 AXL (0.61) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL9738975 0.83 ADORA2A (0.65) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL23416524 0.81 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL9738479 0.81 AXL (0.53) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL9740849 0.81 ADORA2A (0.59) AXLMERTKFLT3TYRO3ADORA2A
SCHEMBL26036734 0.77 CDK1 (0.67) ADORA2AADORA1PDE4APDE4BPDE4C

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