SCHEMBL9535543

SCHEMBL9535543

O=C(O)CN1CN=Cc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MYC P01106 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HSD11B1 P28845 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL7603456 0.77 KMT2A (0.40) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL15157431 0.70 MTNR1A (0.59) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL30657440 0.67 MTNR1A (0.40) TGM2POLBKMT2ACYP2D6CYP2C9
SCHEMBL6407223 0.63 CRHR1 (0.41) POLBKMT2ACYP2C9KDM4ECYP1A2
SCHEMBL23300682 0.60 HRH1 (0.36) POLBKMT2AMYCMTNR1A
SCHEMBL2558541 0.58 MYC (0.36) KMT2AMYCKDM4EMAPTHSD11B1
SCHEMBL30081007 0.58 P2RX4 (0.40) SMN1; SMN2LMNAALDH1A1
SCHEMBL15156824 0.57 ELANE (0.46) KMT2AMAPTPTGDR2TP53
SCHEMBL31267970 0.57 HTR3E (0.40) HDAC1HDAC6HSD11B1TP53L3MBTL1
SCHEMBL3585422 0.56 MEN1 (0.61) KMT2ATP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568540-A1 2,4-DIOXO-PYRIDO 2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1993-11-10 EP disclosed
WO-1992012979-A1 2,4-DIOXO-PYRIDO [2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1992-08-06 WO disclosed