SCHEMBL2806838

SCHEMBL2806838

Cc1cccc(-c2nc(Nc3cccc(C(F)(F)F)c3)c3cnn(C)c3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.61
BCDIN3D Q7Z5W3 2/20 0.60
LMNA P02545 2/20 0.58
HSP90AA1 P07900 2/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ESYT2 A0FGR8 1/20 0.58
PLEKHG3 A1L390 1/20 0.58
NBAS A2RRP1 1/20 0.58
CNOT1 A5YKK6 1/20 0.58
TBKBP1 A7MCY6 1/20 0.58
MYO1G B0I1T2 1/20 0.58
AGPS O00116 1/20 0.58
MYO1F O00160 1/20 0.58
SNAP23 O00161 1/20 0.58
AP3B1 O00203 1/20 0.58
PSMD12 O00232 1/20 0.58
BMPR1B O00238 1/20 0.58
PGRMC1 O00264 1/20 0.58
CLIC1 O00299 1/20 0.58

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
SCHEMBL22119546 0.79 BRAF (0.82) PIK3CABCDIN3DLMNAHSP90AA1MAPK1
SCHEMBL22025030 0.78 BRAF (0.81) PIK3CALMNAHSP90AA1MAPK1HSD17B10
SCHEMBL22024695 0.77 BRAF (0.86) LMNAHSP90AA1MAPK1HSD17B10ESYT2
SCHEMBL22025026 0.77 BRAF (0.82) LMNAHSP90AA1MAPK1HSD17B10ESYT2
SCHEMBL22024561 0.76 BRAF (0.81) LMNAHSP90AA1MAPK1HSD17B10ESYT2
SCHEMBL29582202 0.75 BCDIN3D (1.00) BCDIN3DCDK1PRKCA
SCHEMBL22806070 0.75 BCDIN3D (1.00) BCDIN3DCDK1PRKCA
SCHEMBL13943721 0.75 MEN1 (0.68) PIK3CABCDIN3DLMNAHSP90AA1MAPK1
SCHEMBL22025313 0.75 BRAF (0.80) LMNAHSP90AA1MAPK1HSD17B10ESYT2
SCHEMBL22024565 0.75 KDR (0.53) PIK3CABCDIN3DLMNAHSP90AA1MAPK1

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed