SCHEMBL29985144

SCHEMBL29985144

O=c1cnc2cnc(OCC(F)(F)F)nc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKCB P05771 3/20 0.32
KDM4C Q9H3R0 1/20 0.31
TSHR P16473 1/20 0.30
PDE10A Q9Y233 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL30141680 0.80 MAT2A (0.37) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL4573075 0.76 CYP1A2 (0.47) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL7508716 0.76 ALDH1A1 (0.37) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL29985137 0.73 CDK4 (0.36) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL25272619 0.67 TYRO3 (0.50) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL21428809 0.65 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL5612934 0.64 CYP1A2 (0.47) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL30808338 0.64 LMNA (0.42) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL25163414 0.63 RXRA (0.43) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL17240893 0.63 MKNK1 (0.36) MEN1KMT2ACYP1A2CYP2C19LMNA

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
WO-2022206730-A1 PYRIMIDOPYRAZINE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-06 WO disclosed