SCHEMBL1704058

SCHEMBL1704058

Cc1ccnc(Nc2cccc(-c3cccc(NCCN)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 12/20 1.00
CAMK2D Q13557 1/20 0.53
SYK P43405 2/20 0.47
CSNK2A1 P68400 1/20 0.47
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
IGF1R P08069 1/20 0.43

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
SCHEMBL10268092 0.89 KARS1 (1.00) KARS1SYKCSNK2A1MEN1NPC1
SCHEMBL901741 0.85 KARS1 (0.74) KARS1SYKMEN1NPC1RAB9A
SCHEMBL1755683 0.82 KARS1 (1.00) KARS1SYKCSNK2A1NPC1RAB9A
SCHEMBL902772 0.82 KARS1 (1.00) KARS1SYKMEN1NPC1RAB9A
SCHEMBL902781 0.81 KARS1 (1.00) KARS1SYKMEN1NPC1RAB9A
SCHEMBL902728 0.80 KARS1 (1.00) KARS1CAMK2DSYKMEN1NPC1
SCHEMBL1755624 0.78 KARS1 (0.79) KARS1SYKMEN1NPC1RAB9A
SCHEMBL901943 0.78 KARS1 (0.69) KARS1CAMK2DSYKMEN1NPC1
SCHEMBL902707 0.77 SYK (0.76) KARS1SYKMEN1NPC1RAB9A
SCHEMBL901241 0.77 KARS1 (1.00) KARS1SYKMEN1NPC1RAB9A

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