SCHEMBL13624896

SCHEMBL13624896

NC(=O)c1cnc(NC2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 1.00
JAK2 O60674 1/20 1.00
LCK P06239 1/20 1.00
YES1 P07947 1/20 1.00
LYN P07948 1/20 1.00
FGR P09769 1/20 1.00
SRC P12931 1/20 1.00
PRKCA P17252 1/20 1.00
FLT3 P36888 1/20 1.00
ZAP70 P43403 1/20 1.00
MAP3K9 P80192 1/20 1.00
KCNH2 Q12809 1/20 1.00
PAK5 Q9P286 1/20 1.00

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
SCHEMBL899872 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1352147 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL14977351 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1353814 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL900582 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
Hydrochloric Acid SCHEMBL29392320 0.99 SYK (0.98) SYKJAK2LCKYES1LYN
Hydrochloric Acid SCHEMBL900878 0.99 SYK (0.98) SYKJAK2LCKYES1LYN
SCHEMBL1353568 0.98 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1353566 0.98 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1353462 0.98 SYK (1.00) SYKJAK2LCKYES1LYN

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-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 EP disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed