SCHEMBL31346231

SCHEMBL31346231

CNc1cc(-c2ccc(Cl)cc2)nc2nc3ccccc3n12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMX P51813 2/20 0.58
FLT3 P36888 7/20 0.55
KLK7 P49862 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ADORA2A P29274 1/20 0.41
GAA P10253 1/20 0.41
ACP1 P24666 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL31346225 0.85 FLT3 (0.61) BMXFLT3NPC1RAB9AKDM4E
SCHEMBL12439616 0.74 BMX (0.53) BMXFLT3NPC1RAB9AKDM4E
SCHEMBL12403847 0.69 FLT3 (0.52) BMXFLT3NPC1RAB9AKDM4E
SCHEMBL12439612 0.68 FLT3 (0.47) BMXFLT3NPC1RAB9AKDM4E
SCHEMBL2816214 0.67 ADORA2A (0.63) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL31346262 0.67 KDM4E (0.45) BMXNPC1RAB9AKDM4EALDH1A1
SCHEMBL2816389 0.66 HTR2C (0.47) BMXNPC1RAB9AKDM4EALDH1A1
SCHEMBL18033282 0.66 FLT3 (0.54) BMXFLT3NPC1RAB9AKDM4E
SCHEMBL4677894 0.65 MAPT (0.58) NPC1RAB9AKDM4ELMNAPOLB
SCHEMBL12403848 0.65 ALDH1A1 (0.56) FLT3NPC1RAB9AALDH1A1POLB

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