SCHEMBL9536102

SCHEMBL9536102

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.45
UBE2N P61088 2/20 0.45
ADORA2B P29275 2/20 0.42
PIK3CD O00329 1/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
NTSR1 P30989 1/20 0.42
MC3R P41968 1/20 0.42
NOTUM Q6P988 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
GDA Q9Y2T3 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL9534400 0.79 PDE1A (0.51) ADORA1MAPK1
SCHEMBL9536256 0.79 TAS2R14 (0.45) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9039076 0.79 TAS2R14 (0.48) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9039454 0.77 TAS2R14 (0.46) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9972909 0.77 LMNA (0.48) TAS2R14ADORA2BPIK3CDPOLBADORA3
SCHEMBL9038372 0.77 TAS2R14 (0.46) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9972893 0.77 TAS2R14 (0.43) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9039797 0.76 TAS2R14 (0.48) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9039947 0.73 TAS2R14 (0.44) TAS2R14UBE2NADORA2BPIK3CDPOLB
SCHEMBL9538645 0.73 TAS2R14 (0.46) TAS2R14LMNAKDM4EALDH1A1MAPT

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 4 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-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