SCHEMBL22700669

SCHEMBL22700669

O=C(Nc1cc(F)ccc1N1CCC(OC(=O)c2ccncc2)CC1)C1=CC=NCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.44
CDK9 P50750 1/20 0.44
GPR6 P46095 17/20 0.42
KDR P35968 1/20 0.41
SRPK2 P78362 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
SRPK3 Q9UPE1 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
SCHEMBL22700682 0.92 GPR6 (0.41) GPR6
SCHEMBL23196454 0.86 SRPK1 (0.53) CDK4CDK9GPR6KDRSRPK2
SCHEMBL22700679 0.81 CDK4 (0.68) CDK4CDK9GPR6KDRSRPK2
SCHEMBL22700680 0.71 SRPK1 (0.74) CDK4CDK9KDRSRPK2SRPK1
SCHEMBL31187476 0.71 SRPK1 (0.74) CDK4CDK9KDRSRPK2SRPK1
SCHEMBL3485720 0.71 SRPK1 (0.74) CDK4CDK9KDRSRPK2SRPK1
SCHEMBL23196345 0.69 MAPT (0.52) CDK4CDK9GPR6KDRSRPK2
SCHEMBL24292436 0.69 CDK4 (0.60) CDK4CDK9KDRSRPK2SRPK1
SCHEMBL12855741 0.68 KDR (0.64) KDRSRPK2SRPK1SRPK3
SCHEMBL16697303 0.67 MAPT (0.64) CDK4CDK9KDRSRPK2SRPK1

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-2020235672-A1 PHARMACEUTICAL COMPOSITION FOR ALZHEIMER'S DISEASE 国立大学法人京都大学 (JP) 2020-11-26 WO disclosed