SCHEMBL4556286

SCHEMBL4556286

Cc1cc(-c2cc(-c3ccc(NCCN)cc3C)nc(O)n2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.36
ESR2 Q92731 8/20 0.36
PIM1 P11309 2/20 0.35
CDC7 O00311 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CLK1 P49759 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
KARS1 Q15046 1/20 0.35
HSD17B14 Q9BPX1 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
FGFR1 P11362 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL4557013 0.93 ALDH1A1 (0.38) ESR1ESR2PIM1CDC7CSNK2A2
SCHEMBL3329659 0.81 PIM1 (0.56) ESR1ESR2PIM1CDC7CSNK2A2
SCHEMBL25856355 0.78 IDO1 (0.46) ESR1ESR2
SCHEMBL4555662 0.78 VCP (0.38) ESR1ESR2
SCHEMBL3333095 0.75 PIM1 (0.54) ESR1ESR2PIM1CDC7CSNK2A2
SCHEMBL4555954 0.75 SYK (0.46)
SCHEMBL29145926 0.70 ALDH1A1 (0.45) ESR1ESR2
SCHEMBL22735015 0.69 PIM1 (0.59) ESR1ESR2PIM1CDC7CSNK2A2
SCHEMBL11637154 0.67 TUBB4A (0.47) HSD17B2
SCHEMBL28698738 0.66 PDE10A (0.47) ESR1ESR2

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
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed