SCHEMBL902772

SCHEMBL902772

Cc1ccnc(Nc2cccc(-c3cccc(CCN)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
SYK P43405 2/20 0.46
KDR P35968 2/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
IGF1R P08069 1/20 0.44
LTK P29376 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CDK5 Q00535 1/20 0.44
MAP2K1 Q02750 1/20 0.44
ACVR1 Q04771 1/20 0.44

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
SCHEMBL902781 0.91 KARS1 (1.00) KARS1SYKKDRMAP4K4ABL1
SCHEMBL902820 0.85 KARS1 (0.74) KARS1SYKHTR7
SCHEMBL12469132 0.84 KARS1 (0.72) KARS1SYKKDRMAP4K4ABL1
SCHEMBL901894 0.83 KARS1 (0.71) KARS1SYKKDRMAP4K4ABL1
SCHEMBL902073 0.83 KARS1 (0.71) KARS1SYKTAAR1
SCHEMBL902681 0.82 KARS1 (0.70) KARS1KDRFYNMEN1KMT2A
SCHEMBL1704064 0.82 KARS1 (0.69) KARS1SYKKDRTAAR1
SCHEMBL10268805 0.82 KARS1 (0.69) KARS1TAAR1HTR7
SCHEMBL1704058 0.82 KARS1 (1.00) KARS1SYKKDRMAP4K4ABL1
SCHEMBL902728 0.82 KARS1 (1.00) KARS1SYKKDRMAP4K4ABL1

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