SCHEMBL901240

SCHEMBL901240

Cc1ccnc(Nc2cccc(-c3cccc(C#N)c3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 0.68
CLK4 Q9HAZ1 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
SYK P43405 1/20 0.48
GRM5 P41594 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2226841 0.85 KARS1 (0.53) KARS1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL902728 0.81 KARS1 (1.00) KARS1CLK4SYKMAP4K4ABL1
SCHEMBL1755624 0.80 KARS1 (0.79) KARS1CLK4SYKKDM4EMAP4K4
SCHEMBL902672 0.79 KARS1 (0.74) KARS1CLK4SYKMAP4K4ABL1
SCHEMBL15344138 0.79 CLK4 (0.56) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL902707 0.79 SYK (0.76) KARS1CLK4SYKMAP4K4ABL1
SCHEMBL902781 0.78 KARS1 (1.00) KARS1CLK4ALDH1A1LMNASYK
SCHEMBL14673942 0.77 KARS1 (0.52) KARS1CLK4HSD17B10ALDH1A1TP53
SCHEMBL2228325 0.77 KARS1 (0.52) KARS1SYKKDR
SCHEMBL13136581 0.77 KARS1 (0.54) KARS1CLK4SYKMAP4K4ABL1

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 2 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 disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed