SCHEMBL3847485

SCHEMBL3847485

Brc1ccc2ncnc(-c3cccs3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
HPGD P15428 1/20 0.49
PRNP P04156 2/20 0.48
PPARG P37231 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
HTT P42858 7/20 0.46
RPS6KB2 Q9UBS0 3/20 0.45
LMNA P02545 3/20 0.43
ADK P55263 1/20 0.43
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL14843470 0.79 ADORA2A (0.57) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4201167 0.78 ERN1 (0.40) MEN1KMT2AALDH1A1KDM4ERPS6KB2
SCHEMBL4205381 0.78 RPS6KB2 (0.39) SMN1; SMN2RPS6KB2ADKRIPK2RIPK3
SCHEMBL19092124 0.78 RPS6KB2 (0.64) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28872939 0.74 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL183245 0.73 CLK4 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3120320 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3851637 0.72 ACVR1 (0.46) ALDH1A1KDM4ECYP1A2CYP2C19HPGD
SCHEMBL182899 0.72 PIK3CD (0.52) ALDH1A1KDM4ECYP1A2CYP2C19HPGD
SCHEMBL3855542 0.72 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
WO-2009026346-A1 THIAZOLIDINE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026346-A1 THIAZOLIDINE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed