SCHEMBL1704207

SCHEMBL1704207

Cc1cc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 6/20 0.66
HTR7 P34969 5/20 0.52
HTR1A P08908 4/20 0.52
JAK2 O60674 1/20 0.48
CAMK2D Q13557 1/20 0.48
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
PLK4 O00444 1/20 0.46
PAK4 O96013 1/20 0.46
ADRB1 P08588 1/20 0.45
AURKA O14965 3/20 0.45
AURKB Q96GD4 1/20 0.45
ITK Q08881 1/20 0.45

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
SCHEMBL1704417 0.84 KARS1 (0.76) KARS1JAK2AURKAAURKBITK
SCHEMBL901632 0.79 KARS1 (1.00) KARS1HTR7HTR1ACAMK2D
SCHEMBL1704501 0.78 HTR2C (0.45) KARS1PLK4PAK4AURKAAURKB
SCHEMBL901727 0.76 KARS1 (1.00) KARS1HTR7HTR1ACAMK2DADRB1
SCHEMBL902609 0.75 HTR2C (0.44) KARS1AURKAAURKBITK
SCHEMBL902289 0.73 ITK (0.54) KARS1AURKAAURKBITK
SCHEMBL1704696 0.71 KARS1 (0.67) KARS1HTR7JAK2CDK9CDK5
SCHEMBL1704457 0.71 ITK (0.55) KARS1AURKAAURKBITK
SCHEMBL8257041 0.70 HTR7 (0.56) KARS1HTR7HTR1ACAMK2DADRB1
SCHEMBL22534378 0.70 PLK4 (0.61) JAK2PLK4PAK4AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP claimed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed