SCHEMBL4790468

SCHEMBL4790468

CC1CC(c2ccc(C(F)(F)F)cc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1.CC1CC(c2cccc(C(F)(F)F)c2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 4/20 0.38
DYRK1A Q13627 4/20 0.36
DYRK2 Q92630 4/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
DYRK1B Q9Y463 3/20 0.36
P2RX7 Q99572 2/20 0.34
EIF4A3 P38919 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DYRK3 O43781 2/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33

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
SCHEMBL4790002 0.97 HPGD (0.43) HPGDKDM4EMEN1KMT2ATDP1
SCHEMBL4789402 0.94 GRM5 (0.41) HPGDKDM4EMEN1KMT2ATDP1
SCHEMBL4790167 0.87 TDP1 (0.53) HPGDKDM4EMEN1KMT2ATDP1
SCHEMBL4790271 0.87 NPC1 (0.41) HPGDGRM5ALDH1A1LMNA
SCHEMBL4756503 0.87 GRM5 (0.44) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4790148 0.86 ALDH1A1 (0.42) HPGDKDM4ETDP1GRM5P2RX7
SCHEMBL4755882 0.86 GRM5 (0.42) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4790072 0.86 GRM5 (0.44) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4789879 0.85 GRM5 (0.43) HPGDKDM4ETDP1GRM5ALDH1A1
SCHEMBL4758582 0.85 GRM5 (0.46) HPGDKDM4ETDP1GRM5ALDH1A1

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-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed