SCHEMBL28639852

SCHEMBL28639852

Cc1nc(C(=O)O)no1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.41
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
PLK1 P53350 1/20 0.36
DPP4 P27487 3/20 0.35
LMNA P02545 3/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL1760325 0.98
Lithium SCHEMBL30874235 0.95 RECQL (0.41) RECQLPOLBHCAR2PLK1DPP4
SCHEMBL1828616 0.79
SCHEMBL31143119 0.77
Lithium Ion SCHEMBL22345998 0.76 POLB (0.37) RECQLPOLBPLK1DPP4LMNA
Potassium Ion SCHEMBL19521032 0.76 POLB (0.37) RECQLPOLBPLK1DPP4LMNA
SCHEMBL11826581 0.76 ALDH1A1 (0.51) RECQLPOLBPLK1LMNATSHR
SCHEMBL3679773 0.74 PLK1 (0.53) RECQLPOLBPLK1DPP4TSHR
SCHEMBL21547860 0.74 POLB (0.39) RECQLPOLBPLK1DPP4LMNA
SCHEMBL18507239 0.74 POLB (0.36) RECQLPOLBHCAR2PLK1DPP4

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
CN-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 CN disclosed
CN-113453764-A 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2021-09-28 CN disclosed