SCHEMBL3362622

SCHEMBL3362622

COc1ccccc1-c1cc2c(c(Nc3ccc(C4CCN(S(C)(=O)=O)CC4)cc3)n1)C(=O)[N]C=C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
EGFR P00533 2/20 0.37
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
BTK Q06187 3/20 0.36
JAK2 O60674 2/20 0.35
PTK2 Q05397 1/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
ACP1 P24666 1/20 0.35
PDE4B Q07343 1/20 0.34
JAK3 P52333 2/20 0.34
CCR5 P51681 1/20 0.34
MAP4K1 Q92918 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL3359627 0.90 MAP4K1 (0.42) EGFRBTKJAK2PTK2MAP4K1
SCHEMBL3361735 0.87 SYK (0.40) SYKEGFRBTKJAK2PTK2
SCHEMBL3360902 0.83 SYK (0.39) SYKEGFRBTKJAK2PTK2
SCHEMBL3362595 0.83 ZAP70 (0.48) SYKEGFRBTKJAK2PTK2
SCHEMBL3360354 0.83 MAP4K1 (0.41) SYKEGFRBTKJAK3MAP4K1
SCHEMBL3359270 0.80 SYK (0.41) SYKEGFRBTKJAK3LCK
SCHEMBL3362901 0.80 MAP4K1 (0.44) EGFRCCNT1CDK9MAP4K1
SCHEMBL3359173 0.80 ALK (0.39) SYKEGFRBTKJAK2PTK2
SCHEMBL1047402 0.79 ZAP70 (0.55) SYKEGFRCCNT1CDK9
SCHEMBL3358417 0.79 JAK2 (0.41) EGFRBTKJAK2PTK2JAK3

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-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed