SCHEMBL8306570

SCHEMBL8306570

Nc1cc(F)c(OCc2ccccn2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.54
FFAR1 O14842 3/20 0.48
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
AURKB Q96GD4 3/20 0.43
INCENP Q9NQS7 3/20 0.43
HRH1 P35367 1/20 0.42
PARP10 Q53GL7 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
SCHEMBL21835202 0.87 SYK (0.64) SYKFFAR1ABCB1HTR1ADRD2
SCHEMBL21835286 0.87 SYK (0.50) SYKFFAR1ABCB1HTR1ADRD2
SCHEMBL30729937 0.87 SYK (0.64) SYKFFAR1ABCB1HTR1ADRD2
SCHEMBL9873250 0.84 SYK (0.64) SYKABCB1HTR1ADRD2AURKB
SCHEMBL29963339 0.82 SYK (0.65) SYKFFAR1ABCB1HTR1ADRD2
SCHEMBL6068690 0.82 SYK (0.65) SYKFFAR1ABCB1HTR1ADRD2
SCHEMBL2325950 0.79 PARP10 (0.51) SYKFFAR1AURKBINCENPHRH1
SCHEMBL29178713 0.78 LTA4H (0.47) HTR1ADRD2
SCHEMBL4569960 0.77 SYK (0.59) SYKFFAR1ABCB1HTR1ADRD2
SCHEMBL9719784 0.77 SYK (0.58) SYKABCB1HTR1ADRD2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed