SCHEMBL31346258

SCHEMBL31346258

CNc1nc2nc3ccccc3n2cc1-c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
SYK P43405 2/20 0.47
ALDH1A1 P00352 10/20 0.45
KDM4E B2RXH2 9/20 0.45
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
HPGD P15428 4/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CNR2 P34972 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
FLT3 P36888 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL31346262 0.85 KDM4E (0.45) ADORA2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2820462 0.76 ADORA2A (0.67) ADORA2ASYKALDH1A1KDM4EMAPT
SCHEMBL29892468 0.74 ALDH1A1 (0.55) ADORA2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2162709 0.73 ADORA2A (0.56) ADORA2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL31346225 0.68 FLT3 (0.61) ADORA2ASYKALDH1A1KDM4EMAPT
SCHEMBL11734135 0.68 KDM4E (0.50) ADORA2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL22651970 0.68 RAB9A (0.56) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL2817059 0.68 MAPT (0.47) ADORA2ASYKALDH1A1KDM4EMAPT
SCHEMBL31612370 0.67 RAD51 (0.68) ADORA2AALDH1A1KDM4EMAPTHPGD
SCHEMBL2818200 0.67 ADORA2A (0.52) ADORA2AALDH1A1KDM4EMAPTSMN1; SMN2

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
CN-114423763-B Regioselective synthesis of imidazo [1,2-a ] pyrimidines 豪夫迈·罗氏有限公司 2025-01-21 CN disclosed