SCHEMBL12294012

SCHEMBL12294012

COc1ccc(F)cc1-c1ccnc(NC(=O)C(C)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CTSA P10619 4/20 0.48
TNIK Q9UKE5 1/20 0.46
ABL1 P00519 1/20 0.46
RIOK2 Q9BVS4 4/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
CDK9 P50750 4/20 0.46
GSK3A P49840 4/20 0.46
CDK1 P06493 3/20 0.46
CDK2 P24941 3/20 0.46
CDK3 Q00526 3/20 0.46
CDK5 Q00535 3/20 0.46
CCNT1 O60563 3/20 0.46
GSK3B P49841 2/20 0.46
CCNB1 P14635 2/20 0.46

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
SCHEMBL2401117 1.00 POLB (0.51) POLBCTSATNIKABL1RIOK2
SCHEMBL12268840 0.84 CTSA (0.46) CTSATNIKABL1RIOK2CDK9
SCHEMBL2401116 0.84 CTSA (0.46) CTSATNIKABL1RIOK2CDK9
SCHEMBL2401409 0.84 CTSA (0.46) CTSATNIKABL1RIOK2CDK9
SCHEMBL12661743 0.84 CDK9 (0.58) POLBCDK9GSK3ACDK1CCNT1
SCHEMBL1849202 0.84 CDK9 (0.58) POLBCDK9GSK3ACDK1CCNT1
SCHEMBL1853448 0.84 CDK9 (0.58) POLBCDK9GSK3ACDK1CCNT1
SCHEMBL2382068 0.84 GSK3A (0.55) CTSARIOK2PSEN1PSEN2APH1B
SCHEMBL27901089 0.83 POLB (0.53) POLBRIOK2PSEN1PSEN2APH1B
SCHEMBL27901120 0.83 POLB (0.53) POLBRIOK2PSEN1PSEN2APH1B

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-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed