SCHEMBL22073074

SCHEMBL22073074

C=C(C)c1cnc(C(=N)N)nc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 2/20 0.35
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
LMNA P02545 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL12819389 0.73 HDAC1 (0.45) LMNA
SCHEMBL15760353 0.72 ALDH1A1 (0.41)
SCHEMBL12527757 0.70 SMYD3 (0.30)
SCHEMBL28079692 0.70 LMNA (0.39) LMNA
SCHEMBL24144398 0.69 ADRA2A (0.38) C1SNOS1
SCHEMBL10058967 0.69 JUN (0.33)
SCHEMBL24143680 0.69 IDO1 (0.30)
SCHEMBL14369770 0.68 MEN1 (0.35) UBE2TPRSS1PRSS2PRSS3LMNA
Hydrochloric Acid SCHEMBL22042761 0.67 IDO1 (0.32) PRSS1PRSS2C1SPRSS3
SCHEMBL8975471 0.67 NPC1 (0.41) PRSS1PRSS2PRSS3LMNA

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-2020116296-A1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR ユニマテック株式会社 2020-06-11 WO disclosed