SCHEMBL8215151

SCHEMBL8215151

CC1c2ccncc2CCN1C(=O)c1cc2ncc(I)cn2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
ESR2 Q92731 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1009451 0.88 GRM5 (0.55) GRM5ALDH1A1HPGDGAATDP1
SCHEMBL1008831 0.88 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL8217311 0.84 GRM5 (0.43) GRM5ALDH1A1LMNAKDM4E
SCHEMBL1011055 0.81 GRM5 (0.47) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL1009187 0.80 GRM5 (0.55) GRM5ALDH1A1HPGDGAATDP1
SCHEMBL3813925 0.77 DRD1 (0.37) GRM5GAAKDM4E
SCHEMBL3819224 0.77 GRM5 (0.38) GRM5ALDH1A1HPGDLMNAGAA
SCHEMBL1010650 0.77 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA
SCHEMBL15020037 0.77 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA
SCHEMBL1011624 0.77 GRM5 (0.48) GRM5ALDH1A1HPGDLMNA

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-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed