SCHEMBL21856753

SCHEMBL21856753

N#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 11/20 1.00
PFKFB3 Q16875 11/20 1.00
PFKFB1 P16118 11/20 1.00
AS3MT Q9HBK9 7/20 0.76
NSD2 O96028 3/20 0.76
DOT1L Q8TEK3 2/20 0.76
LTA4H P09960 1/20 0.46
RECQL P46063 1/20 0.42
RNF4 P78317 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL21856721 0.87 PFKFB2 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL21856750 0.84 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL21856678 0.83 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL21856686 0.82 PFKFB1 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857288 0.72 PFKFB2 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL11645364 0.71 RNF4 (0.71) LTA4HRECQLRNF4
SCHEMBL11642720 0.71 PFKFB2 (0.60) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL21856792 0.70 PFKFB3 (1.00) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL11645090 0.70 KMT2A (0.71) PFKFB2PFKFB3PFKFB1AS3MTNSD2
SCHEMBL5857169 0.69 AS3MT (0.66) PFKFB2PFKFB3PFKFB1AS3MTNSD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN claimed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO claimed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed