SCHEMBL28404604

SCHEMBL28404604

CCN1CCN(c2ccc(Nc3ccc[nH]3)c(N)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.46
GFER P55789 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 1/20 0.41
CDK6 Q00534 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
FLT3 P36888 1/20 0.38
HDAC1 Q13547 1/20 0.38
MITF O75030 1/20 0.38
KDM1A O60341 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TTK P33981 1/20 0.37
MT-CO2 P00403 1/20 0.37
KHK P50053 2/20 0.37

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
SCHEMBL28404646 0.81 LMNA (0.45) MAPTSMN1; SMN2
SCHEMBL30724194 0.73 GAA (0.76) RAD52GAAMAPTGFERKDM4E
SCHEMBL3847676 0.73 GAA (0.76) RAD52GAAMAPTGFERKDM4E
SCHEMBL19732355 0.72 RAD52 (0.48) RAD52GAAMAPTGFERKDM4E
SCHEMBL2376617 0.70 GAA (0.77) RAD52GAAMAPTGFERKDM4E
SCHEMBL13548709 0.70 GAA (0.66) RAD52GAAMAPTGFERKDM4E
SCHEMBL28943250 0.70 CDK4 (0.44) RAD52GAAMAPTGFERKDM4E
SCHEMBL4950181 0.69 GAA (0.69) RAD52GAAMAPTGFERKDM4E
SCHEMBL2378263 0.68 GAA (1.00) RAD52GAAMAPTGFERKDM4E
SCHEMBL6151433 0.68 GAA (1.00) RAD52GAAMAPTGFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278823-B Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2023-01-24 CN disclosed
CN-111278823-A Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2020-06-12 CN disclosed