SCHEMBL25565752

SCHEMBL25565752

CCOc1cc(N)ccc1C1=CCN(C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CDK9 P50750 12/20 0.35
CCNT1 O60563 10/20 0.35
ESRRG P62508 2/20 0.33
ESRRB O95718 1/20 0.33
ESR1 P03372 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
CDK8 P49336 1/20 0.33
CDK7 P50613 1/20 0.33
CDK6 Q00534 1/20 0.33
PARP1 P09874 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32

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
SCHEMBL25565756 0.84 KDM4E (0.47) MAPTKDM4EGAA
SCHEMBL25565747 0.71 CHRM4 (0.43) MAPTKDM4EGAA
SCHEMBL347279 0.71 MAPT (0.63) MAPTKDM4EGAA
SCHEMBL30427138 0.68 MAPT (0.56) MAPTKDM4EGAA
SCHEMBL2210399 0.68 MAPT (0.56) MAPTKDM4EGAA
SCHEMBL3783390 0.66 MAPT (0.53) MAPTKDM4EGAA
SCHEMBL10127415 0.65 FGFR3 (0.50) MAPTKDM4ECDK4CDK2
SCHEMBL30309444 0.65 BRAF (0.46) MAPTKDM4EGAACDK4CDK2
SCHEMBL22164002 0.65 BRAF (0.46) MAPTKDM4EGAACDK4CDK2
SCHEMBL3790341 0.65 MAPT (0.51) MAPTKDM4EGAA

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
WO-2023094310-A1 PYRAZOLOTRIAZINE DERIVATIVES USEFUL AS CDK9 INHIBITORS ORIGENIS GMBH (DE) 2023-06-01 WO disclosed