SCHEMBL3797276

SCHEMBL3797276

CCOC(=O)c1nc2cccc(Nc3ccccc3F)c2n2cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CDC25B P30305 2/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CSF1R P07333 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL3790221 0.87 CDC25B (0.44) POLBCDC25BCDC25ACDC25CKDM4E
SCHEMBL1310922 0.78 PTPN2 (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL28420937 0.76 POLB (0.49) POLBCDC25BCDC25ACDC25CKDM4E
SCHEMBL3790215 0.75 PIM1 (0.50) POLBCDC25BCDC25ACDC25CKDM4E
SCHEMBL3587879 0.70 GUCY1A1 (0.52) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3789561 0.69 CSNK2B (0.45) KDM4EMAPTTP53KMT2AMEN1
SCHEMBL16516735 0.68 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3794469 0.68 KDM4E (0.46) POLBCDC25BCDC25ACDC25CKDM4E
SCHEMBL3784901 0.68 SMN1; SMN2 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL2825604 0.67 SMN1; SMN2 (0.47) POLBCDC25BCDC25ACDC25CKDM4E

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-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed