SCHEMBL30104082

SCHEMBL30104082

O=C1Cc2cnc(C(=O)O)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
AHR P35869 4/20 0.41
CMA1 P23946 2/20 0.41
EIF2AK2 P19525 1/20 0.40
KDR P35968 3/20 0.40
TDP2 O95551 2/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL16291500 0.81 SMYD3 (0.43) SMYD3EIF2AK2KDRAURKBPLK1
SCHEMBL29878803 0.81 SMYD3 (0.43) SMYD3EIF2AK2KDRAURKBPLK1
SCHEMBL13650417 0.74 AHR (0.44) SMYD3AHRCMA1EIF2AK2KDR
SCHEMBL19153946 0.74 AHR (0.44) AHRCMA1EIF2AK2KDRCHEK1
SCHEMBL30809183 0.74 AHR (0.53) AHRCMA1EIF2AK2KDRCHEK1
SCHEMBL659822 0.74 AHR (0.53) AHRCMA1EIF2AK2KDRCHEK1
SCHEMBL5310732 0.73 GAA (0.47) CYP11B1CYP11B2
SCHEMBL30459851 0.72 SMYD3 (0.59) SMYD3AHRCMA1PLK1CRBN
SCHEMBL21941431 0.70 AHR (0.41) AHRCMA1EIF2AK2KDRCHEK1
SCHEMBL669630 0.70 EIF2AK2 (0.44) AHRCMA1EIF2AK2KDRAURKB

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-4061373-A1 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE Angion Biomedica Corp. (US) 2022-09-28 EP disclosed