SCHEMBL212708

SCHEMBL212708

O=CNc1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.63
CSNK1D P48730 13/20 0.56
ACP1 P24666 1/20 0.56
EPHX2 P34913 1/20 0.55
SCN4A P35499 1/20 0.55
CYP2D6 P10635 1/20 0.53
LRRK2 Q5S007 1/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 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
SCHEMBL5683714 0.80 DYRK1A (0.68) DYRK1ACSNK1DACP1EPHX2SCN4A
SCHEMBL2116732 0.80 KDM4E (0.64) DYRK1ACSNK1DACP1EPHX2SCN4A
SCHEMBL8430853 0.80 DYRK1A (0.68) DYRK1ACSNK1DACP1EPHX2SCN4A
SCHEMBL211725 0.79 DYRK1A (0.65) DYRK1ACSNK1DACP1SCN4ACSNK2A2
SCHEMBL3791611 0.78 DYRK1A (0.78) DYRK1ACSNK1DACP1CYP2D6LRRK2
SCHEMBL28878445 0.78 DYRK1A (0.64) DYRK1ACSNK1DACP1EPHX2SCN4A
SCHEMBL29974674 0.78 DYRK1A (0.64) DYRK1ACSNK1DACP1EPHX2SCN4A
SCHEMBL6191383 0.77 DYRK1A (0.76) DYRK1ACSNK1DACP1CYP2D6LRRK2
SCHEMBL25464674 0.77 RAB9A (0.60) DYRK1ACSNK1DCYP2D6LRRK2
SCHEMBL14189675 0.77 NPC1 (0.61) DYRK1AACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO disclosed