SCHEMBL5250649

SCHEMBL5250649

Nc1ncnc2c(C3CCCC3)cn(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.47
BTK Q06187 16/20 0.45
LCK P06239 2/20 0.45
LYN P07948 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
RGS12 O14924 1/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
FYN P06241 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL23847508 0.99 TNK2 (0.48) TNK2BTKLCKLYNKDM4E
SCHEMBL8820010 0.90 EGFR (0.43) TNK2KDM4EMEN1NPC1ALDH1A1
SCHEMBL23834462 0.89 BTK (0.45) TNK2BTKLCK
SCHEMBL19230428 0.89 BTK (0.56) TNK2BTKLCKSRCTEK
SCHEMBL22710626 0.86 BTK (0.56) BTKLCKLYNEGFRFYN
SCHEMBL23834499 0.86 BTK (0.40) TNK2BTKLCKLYNKDM4E
SCHEMBL23847507 0.84 BTK (0.54) TNK2BTKLCKLYNEGFR
SCHEMBL30053759 0.84 BTK (0.54) TNK2BTKLCKLYNEGFR
SCHEMBL23855013 0.84 BTK (0.54) TNK2BTKLCKLYNEGFR
SCHEMBL23855018 0.84 BTK (0.54) TNK2BTKLCKLYNEGFR

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-1268481-B1 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2007-12-12 EP disclosed
US-7071199-B1 Kinase inhibitors as therapeutic agents ABBOTT GMBH & CCO. KG (DE) 2006-07-04 US disclosed
CN-1390220-A Kinase inhibitors as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed