SCHEMBL4563029

SCHEMBL4563029

CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3ncc(Cl)cn3n1)C2.CC1c2cccc(Cl)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1.NC(=O)Cc1cccc2c1CCN(C(=O)c1cc3ncc(Br)cn3n1)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.39
ESR2 Q92731 5/20 0.39
POLB P06746 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
NR4A1 P22736 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.35
ESR1 P03372 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4564727 0.88 F11 (0.34) POLBMAPT
SCHEMBL4564726 0.81 MAPT (0.38) POLBNPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1010202 0.80 GRM5 (0.49) GRM5ESR2POLBTDP1ALDH1A1
SCHEMBL1010478 0.80 GRM5 (0.58) GRM5ESR2POLBTDP1KDM4E
SCHEMBL1010236 0.80 GRM5 (0.48) GRM5ESR2POLBTDP1KDM4E
SCHEMBL1011045 0.80 GRM5 (0.43) GRM5ESR2POLBTDP1KDM4E
SCHEMBL1009118 0.77 GRM5 (0.46) GRM5ESR2POLBTDP1KDM4E
SCHEMBL1010766 0.73 GRM5 (0.46) GRM5ESR2POLBTDP1ALDH1A1
SCHEMBL1009560 0.72 GRM5 (0.53) GRM5ESR2POLBTDP1ALDH1A1
SCHEMBL8216283 0.72 GRM5 (0.44) GRM5ESR2POLBTDP1ALDH1A1

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-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP claimed
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 claimed