SCHEMBL3409955

SCHEMBL3409955

Cc1c[nH]c(-c2ccc(Nc3nccc(-c4ccc(C(F)(F)F)cc4)n3)cc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.48
CCNA2 P20248 3/20 0.45
CCNA1 P78396 3/20 0.45
IKBKB O14920 2/20 0.45
CHUK O15111 2/20 0.45
GSK3B P49841 4/20 0.45
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
KIT P10721 1/20 0.43
SYK P43405 1/20 0.43
PIM1 P11309 1/20 0.42
CDK4 P11802 1/20 0.42
CCND3 P30281 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41

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
SCHEMBL3413279 0.88 CDK2 (0.46) CDK2CCNA2CCNA1IKBKBCHUK
SCHEMBL3406069 0.83 PTGS2 (0.40) CDK2SYK
SCHEMBL3406820 0.79 L3MBTL1 (0.39) SYK
SCHEMBL4102506 0.77 CDK2 (0.49) CDK2CCNA2CCNA1IKBKBCHUK
SCHEMBL3411020 0.76 SYK (0.41) SYK
SCHEMBL3409757 0.76 CDK9 (0.47) CDK2CCNA2GSK3BCDK4PIK3CA
SCHEMBL3407305 0.75 PIK3CA (0.61) CDK2IKBKBCLK1DYRK1ACLK4
SCHEMBL3408739 0.75 PTGS2 (0.41) CDK2IKBKBCHUKGSK3BSYK
SCHEMBL3408631 0.74 PIK3CG (0.47) CDK2CCNA2CCNA1IKBKBCHUK
SCHEMBL3412794 0.74 SYK (0.39) CDK2CCNA2CCNA1GSK3BCLK4

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed