SCHEMBL6932971

SCHEMBL6932971

CC#CCOc1cc(CCc2ccccc2F)ncn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADAM17 P78536 2/20 0.33
AOC3 Q16853 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR3C2 P08235 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MAOB P27338 2/20 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
SCHEMBL5413218 0.89 PDE5A (0.32) KDM4ETAAR1LMNATP53MAPT
SCHEMBL5414191 0.81 KMT2A (0.35) AURKARPS6KB1KMT2A
SCHEMBL5417048 0.80
SCHEMBL6931879 0.79 TAAR1 (0.38) KDM4ETAAR1TSHRPPARGNCOA2
SCHEMBL5417036 0.77 KDR (0.33) MAPTPPARGAURKARPS6KB1ALDH1A1
SCHEMBL5410645 0.76 MEN1 (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5400006 0.76 KMT2A (0.37) LMNAMAPTAURKARPS6KB1MAOB
SCHEMBL5405596 0.76 IDO1 (0.33) TAAR1AURKARPS6KB1ALDH1A1
SCHEMBL3694486 0.76 HTR2C (0.34) KDM4ETAAR1LMNATP53TSHR
SCHEMBL5402129 0.76 CSF1R (0.36) KDM4ELMNATP53TSHRAURKA

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
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP claimed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO claimed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed