SCHEMBL8837873

SCHEMBL8837873

OCCNc1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.90
ABL1 P00519 4/20 0.69
BCR P11274 4/20 0.69
PRKCA P17252 4/20 0.69
CDK1 P06493 4/20 0.58
CDK2 P24941 4/20 0.58
CDK4 P11802 3/20 0.58
CCNB1 P14635 3/20 0.58
CCNA2 P20248 3/20 0.58
CCND1 P24385 3/20 0.58
MTOR P42345 2/20 0.58
SMG1 Q96Q15 2/20 0.58
CCNE1 P24864 2/20 0.58
CDK7 P50613 2/20 0.58
CCNH P51946 2/20 0.58
CDK5 Q00535 2/20 0.58
CDK5R1 Q15078 2/20 0.58
NPC1 O15118 1/20 0.58
CCNT1 O60563 1/20 0.58
MAPT P10636 1/20 0.58

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
Monoethanolamine SCHEMBL8837869 0.97 CSNK2A1 (0.84) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837780 0.95 CSNK2A1 (1.00) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837798 0.91 CSNK2A1 (0.81) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837887 0.91 CSNK2A1 (0.81) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837797 0.90 CSNK2A1 (0.79) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837874 0.89 CSNK2A1 (0.77) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837770 0.89 CSNK2A1 (0.83) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837799 0.89 CSNK2A1 (0.82) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837859 0.88 CSNK2A1 (0.76) CSNK2A1ABL1BCRPRKCACDK1
SCHEMBL8837826 0.88 CSNK2A1 (0.76) CSNK2A1ABL1BCRPRKCACDK1

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
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US claimed