SCHEMBL9038342

SCHEMBL9038342

Cn1c(=O)c2c(N)ccnc2n(Cc2ccccc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL9039524 0.86 ADORA3 (0.50) ADORA2BADORA3MEN1KMT2A
SCHEMBL9040140 0.82 ADORA2A (0.51) ADORA2B
SCHEMBL9038987 0.80 MEN1 (0.48) ADORA2BADORA3HPGDMEN1KMT2A
SCHEMBL9038623 0.79 PDE1A (0.54) ADORA2BCYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL9536256 0.77 TAS2R14 (0.45) ADORA2BADORA3KMT2AALDH1A1LMNA
SCHEMBL9039108 0.76 PNP (0.58) ADORA3HPGDMEN1KMT2ACYP3A4
SCHEMBL9039440 0.74 ADORA2A (0.51) ADORA2BPKM
SCHEMBL9119046 0.74 ADORA2B (0.81) ADORA2BADORA3KMT2ACYP3A4POLB
SCHEMBL13941407 0.73 HPGD (0.58) ADORA2BADORA3HPGDMEN1KMT2A
SCHEMBL23974590 0.72 ADORA2A (0.63) ADORA2BADORA3HPGDSMN1; SMN2ALDH1A1

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