SCHEMBL1741386

SCHEMBL1741386

CC[C@@](c1ccccc1)([C@H](C)O[Si](C)(C)C(C)(C)C)n1cnc2c(Cl)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
FGFR1 P11362 3/20 0.32
FGFR4 P22455 3/20 0.32
FDPS P14324 1/20 0.31
ADORA1 P30542 2/20 0.30

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
SCHEMBL1741649 0.69 CCNB2 (0.39) TYMPFGFR1FGFR4
SCHEMBL11899618 0.69 CCNB2 (0.39)
SCHEMBL11900412 0.69 CCNB2 (0.39) TYMPFGFR1FGFR4
SCHEMBL2875474 0.69 CCNB2 (0.39)
SCHEMBL1741159 0.68 PDE2A (0.36) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL11899186 0.68 ADA (0.39) PI4KAPI4K2BPI4K2API4KBFDPS
SCHEMBL1741202 0.68 PDE2A (0.36) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL1741206 0.68 PDE2A (0.36) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL1741157 0.68 PDE2A (0.36) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL21126195 0.65 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBFGFR1

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
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 WO disclosed