SCHEMBL9039484

SCHEMBL9039484

Cn1c(=O)c2c(NCCO)ccnc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.46
PCSK9 Q8NBP7 8/20 0.45
GRM1 Q13255 1/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ADORA2B P29275 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL9538645 0.85 TAS2R14 (0.46) TAS2R14GRM1LMNAKDM4EALDH1A1
SCHEMBL9039797 0.81 TAS2R14 (0.48) TAS2R14LMNAKDM4EADORA2BALDH1A1
SCHEMBL9534385 0.81 TAS2R14 (0.44) TAS2R14LMNAMEN1KMT2AKDM4E
SCHEMBL9039344 0.80 HTT (0.46) TAS2R14GRM1LMNASMN1; SMN2MAPK1
SCHEMBL9038372 0.80 TAS2R14 (0.46) TAS2R14LMNAKDM4EADORA2BALDH1A1
SCHEMBL9039454 0.80 TAS2R14 (0.46) TAS2R14GRM1LMNAKDM4EADORA2B
SCHEMBL9038676 0.78 TAS2R14 (0.48) TAS2R14LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9039947 0.76 TAS2R14 (0.44) TAS2R14LMNAKDM4EADORA2BALDH1A1
SCHEMBL9037923 0.76 TAS2R14 (0.46) TAS2R14LMNAMEN1KMT2AKDM4E
SCHEMBL9537419 0.76 UTS2R (0.44) PCSK9LMNAMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243311-A2 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-10-28 EP claimed
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
EP-0243311-B1 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1993-06-09 EP disclosed
US-4808587-A ANTIALLEGENS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0243311-A2 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-10-28 EP disclosed