SCHEMBL28787246

SCHEMBL28787246

CCN1CCC(c2ccc(Nc3nc(-c4cncc(OC)n4)cc4c3CNC=C4)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.44
FGFR1 P11362 2/20 0.36
FGFR4 P22455 2/20 0.36
KDR P35968 2/20 0.36
JAK3 P52333 4/20 0.35
LCK P06239 4/20 0.35
EGFR P00533 3/20 0.35
ALK Q9UM73 1/20 0.34
BTK Q06187 3/20 0.33
SYK P43405 2/20 0.33
TLR7 Q9NYK1 1/20 0.32
JAK2 O60674 1/20 0.32
PTK2 Q05397 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL27806063 0.83 ZAP70 (0.43) ZAP70FGFR1FGFR4KDRJAK3
SCHEMBL3362887 0.82 ZAP70 (0.46) ZAP70FGFR1FGFR4KDRJAK3
SCHEMBL1048324 0.78 ZAP70 (0.72) ZAP70SYK
SCHEMBL3361199 0.77 ZAP70 (0.37) ZAP70
SCHEMBL27826732 0.75 RET (0.43) ZAP70KDREGFRSYK
SCHEMBL3388909 0.75 ACP1 (0.41) JAK3LCKEGFRSYK
SCHEMBL3359883 0.75 FGFR1 (0.34) ZAP70FGFR1FGFR4KDRJAK3
SCHEMBL27826756 0.74 ZAP70 (0.53) ZAP70JAK3LCKALKBTK
SCHEMBL3390137 0.74 ZAP70 (0.36) ZAP70KDRBTKSYK
SCHEMBL3362586 0.73 ZAP70 (0.44) ZAP70JAK3JAK2PTK2

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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed