SCHEMBL13624871

SCHEMBL13624871

NC(=O)CNc1ncc(C(N)=O)c(Nc2ccc3nccnc3c2)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.67
MAPK8 P45983 7/20 0.54
ZAP70 P43403 3/20 0.53
KCNH2 Q12809 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL13624991 0.88 SYK (0.68) SYKMAPK8ZAP70KCNH2AURKB
SCHEMBL13624873 0.87 SYK (0.66) SYKMAPK8ZAP70KCNH2AURKB
SCHEMBL1353963 0.85 SYK (0.71) SYK
SCHEMBL1353960 0.85 SYK (0.71) SYK
SCHEMBL13624696 0.83 SYK (0.67) SYKMAPK8ZAP70KCNH2AURKB
SCHEMBL13624683 0.83 SYK (0.70) SYKMAPK8ZAP70KCNH2AURKB
SCHEMBL16782386 0.83 SYK (0.69) SYKMAPK8ZAP70KCNH2AURKB
SCHEMBL1354169 0.81 SYK (1.00) SYK
SCHEMBL1354164 0.81 SYK (1.00) SYK
SCHEMBL13624695 0.80 SYK (0.69) SYKMAPK8ZAP70KCNH2AURKB

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