SCHEMBL17277998

SCHEMBL17277998

CNc1ncc(F)c(Nc2ccc3c(n2)NC(=O)C(C)O3)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 15/20 0.47
▸ AURKA O14965 6/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ LCK P06239 3/20 0.47
▸ LYN P07948 3/20 0.47
▸ PLK4 O00444 3/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ MAPK8 P45983 3/20 0.47
▸ MAPK9 P45984 3/20 0.47
▸ PTK2 Q05397 3/20 0.47
▸ AURKB Q96GD4 3/20 0.47
▸ KDR P35968 3/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TYRO3 Q06418 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ STK16 O75716 2/20 0.47
▸ RET P07949 2/20 0.47
▸ MST1R Q04912 2/20 0.47
▸ TNK1 Q13470 2/20 0.47

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
SCHEMBL12212792 0.89 SYK (0.45) SYKAURKAJAK2LCKLYN
SCHEMBL12237028 0.89 SYK (0.45) SYKAURKAJAK2LCKLYN
SCHEMBL17278002 0.80 MAOB (0.50) SYKAURKAJAK2LCKLYN
SCHEMBL12854262 0.80 SYK (0.69) SYKAURKAJAK2LCKLYN
SCHEMBL15397375 0.80 SYK (0.63) SYKAURKAJAK2LCKLYN
SCHEMBL2103803 0.74 SYK (0.55) SYKAURKAJAK2LCKLYN
SCHEMBL12854264 0.73 SYK (0.44) SYKAURKAJAK2LCKLYN
SCHEMBL22068257 0.72 SYK (0.69) SYKAURKAJAK2LCKLYN
SCHEMBL12212789 0.70 SYK (0.59) SYKAURKAJAK2LCKLYN
SCHEMBL12212798 0.70 SYK (0.49) SYKAURKAJAK2LCKLYN

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
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