SCHEMBL793337

SCHEMBL793337

CCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.57
LPL P06858 13/20 0.57
ROCK1 Q13464 1/20 0.51
EGFR P00533 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
F11 P03951 1/20 0.37
HIF1A Q16665 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL12215766 0.88 LIPG (0.57) LIPGLPLROCK1EGFRCA1
SCHEMBL18643675 0.87 ROCK1 (0.56) LIPGLPLROCK1EGFRCA1
SCHEMBL28052007 0.86 ROCK1 (0.50) LIPGLPLROCK1EGFRCA1
SCHEMBL15100237 0.83 LIPG (0.58) LIPGLPLROCK1CA1CA2
SCHEMBL2562597 0.83 ROCK1 (0.52) LIPGLPLROCK1EGFRCA1
SCHEMBL31643226 0.83 ROCK1 (0.52) LIPGLPLROCK1EGFRCA1
SCHEMBL3321140 0.83 ROCK1 (0.55) LIPGLPLROCK1EGFRCA1
SCHEMBL17430653 0.83 ROCK1 (0.52) LIPGLPLROCK1EGFRCA1
SCHEMBL27143661 0.81 ROCK1 (0.55) LIPGLPLROCK1F11HIF1A
SCHEMBL12279506 0.81 LIPG (0.57) LIPGLPLROCK1EGFRCA1

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-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed