SCHEMBL31346253

SCHEMBL31346253

Cc1cn2c(nc1Nc1ccccc1)nc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
LCK P06239 3/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 4/20 0.45
NPC1 O15118 4/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
TNKS O95271 2/20 0.45
ALK Q9UM73 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 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
SCHEMBL31346221 0.86 BMI1 (0.47) SMN1; SMN2LCKLMNARAB9ANPC1
SCHEMBL31346257 0.84 TNKS (0.53) LCKRAB9ANPC1KMT2ATP53
SCHEMBL484248 0.73 ALK (0.54) SMN1; SMN2LCKHSD17B10LMNAHPGD
SCHEMBL11823273 0.70 ALDH1A1 (0.50) SMN1; SMN2LMNAHPGDKMT2AMAPT
SCHEMBL4131814 0.70 LCK (0.58) SMN1; SMN2LCKHSD17B10LMNAHPGD
SCHEMBL4931040 0.69 LCK (1.00) SMN1; SMN2LCKHSD17B10LMNAHPGD
SCHEMBL11480484 0.68 MAPK8 (0.65) SMN1; SMN2LCKHSD17B10LMNAHPGD
SCHEMBL31346261 0.67 GAA (0.60) SMN1; SMN2HSD17B10LMNAHPGDMAPK1
SCHEMBL18056293 0.66 PTPN1 (0.53) SMN1; SMN2LMNAHPGDMAPK1KMT2A
SCHEMBL31346262 0.66 KDM4E (0.45) SMN1; SMN2LMNAHPGDMAPK1RAB9A

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