SCHEMBL31486541

SCHEMBL31486541

Cn1cc(-c2ccnc(Cl)c2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.55
IMPDH2 P12268 1/20 0.52
ASH1L Q9NR48 1/20 0.49
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
GSK3B P49841 5/20 0.44
NFATC1 O95644 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK2 P24941 3/20 0.44
CCNA2 P20248 2/20 0.44
CCNT1 O60563 2/20 0.44

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
SCHEMBL19699851 1.00 EGFR (0.55) EGFRIMPDH2ASH1LCDK5CDK5R1
SCHEMBL29212194 0.77 BRD4 (0.48) IMPDH2CDK5CDK5R1SMN1; SMN2KDM4E
SCHEMBL19089318 0.77 EGFR (0.55) EGFRIMPDH2CDK5CDK5R1CYP1A2
SCHEMBL29419125 0.73 MKNK1 (0.50) EGFRIMPDH2CDK5CDK5R1SMN1; SMN2
SCHEMBL5096322 0.73 MKNK1 (0.50) EGFRIMPDH2CDK5CDK5R1SMN1; SMN2
SCHEMBL1310255 0.73 IMPDH2 (0.64) IMPDH2ASH1LCYP1A2CYP3A4CYP2D6
SCHEMBL30320839 0.73 BRD4 (0.67) IMPDH2CDK5CDK5R1CYP1A2CYP3A4
SCHEMBL3974232 0.71 POLB (0.62) SMN1; SMN2NPC1ALDH1A1RAB9AMEN1
SCHEMBL16416083 0.71 CDK5 (0.47) EGFRIMPDH2CDK5CDK5R1CYP1A2
SCHEMBL20549072 0.71 KDM4E (0.45) IMPDH2CDK5CYP1A2CYP3A4CYP2D6

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-119562809-A Inhibitors of tau protein 德国神经退行性疾病研究中心 2025-03-04 CN disclosed