SCHEMBL17278002

SCHEMBL17278002

CNc1ncc(F)c(Nc2ccc3c(c2)NC(=O)C(C)O3)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
SYK P43405 14/20 0.49
EGFR P00533 2/20 0.46
JAK2 O60674 1/20 0.46
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
FGFR4 P22455 1/20 0.46
AURKA O14965 2/20 0.41
CDK1 P06493 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL2103803 0.94 SYK (0.55) MAOBADORA2ASYKEGFRJAK2
SCHEMBL12212798 0.89 SYK (0.49) MAOBADORA2ASYKEGFRJAK2
SCHEMBL2101323 0.87 MAOB (0.51) MAOBADORA2ASYKEGFRJAK2
SCHEMBL2103481 0.87 MAOB (0.51) MAOBADORA2ASYKEGFRJAK2
SCHEMBL3951884 0.87 MAOB (0.51) MAOBADORA2ASYKEGFRJAK2
SCHEMBL2101544 0.86 SYK (0.61) MAOBADORA2ASYKEGFRJAK2
SCHEMBL2102368 0.86 SYK (0.61) MAOBADORA2ASYKEGFRJAK2
SCHEMBL2100628 0.85 AURKA (0.57) MAOBADORA2ASYKEGFRJAK2
SCHEMBL2100735 0.84 BCL6 (0.56) SYKEGFR
SCHEMBL2745277 0.84 SYK (0.47) MAOBADORA2ASYKEGFRJAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558474-B1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-11-25 EP disclosed