SCHEMBL9039738

SCHEMBL9039738

CCn1c(=O)c2c(NC(C)=O)c(C)cnc2n(CC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.40
ADORA2A P29274 3/20 0.40
ALDH1A1 P00352 1/20 0.39
EEF2K O00418 1/20 0.37
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.33
PTPRB P23467 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RPS6KA5 O75582 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL9039917 0.80 ADORA2B (0.40) ADORA2BADORA2AALDH1A1EEF2KPDE4A
SCHEMBL9038401 0.80 ADORA2B (0.40) ADORA2BADORA2AALDH1A1PDE4APDE4B
SCHEMBL9037775 0.76 ADORA2B (0.40) ADORA2BADORA2AEEF2KPDE4APDE4B
SCHEMBL9018998 0.76 ADORA2B (0.48) ADORA2BADORA2AALDH1A1EEF2KPDE4A
SCHEMBL9019089 0.76 ADORA2B (0.44) ADORA2BADORA2AALDH1A1EEF2KPDE4A
SCHEMBL9039673 0.70 ADORA2A (0.47) ADORA2BADORA2AALDH1A1EEF2KPDE4A
SCHEMBL9038258 0.69 EEF2K (0.46) ADORA2BADORA2AALDH1A1EEF2KPDE4A
SCHEMBL9039634 0.68 KDM4E (0.49) ALDH1A1EEF2KLMNATP53POLB
SCHEMBL9038294 0.68 ADORA2B (0.40) ADORA2BADORA2AALDH1A1PDE4APDE4B
SCHEMBL28144480 0.68 EEF2K (0.38) ADORA2BADORA2AALDH1A1EEF2KPDE4A

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-0696590-A1 Pyrido[2,3-d]pyrimidine derivatives, their preparation and their use as anti-asthma agents NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-02-14 EP disclosed