SCHEMBL3360759

SCHEMBL3360759

CCN1CCC(c2ccc(Nc3nc(-c4ccccc4SC)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.36
JAK3 P52333 3/20 0.34
PTK2 Q05397 2/20 0.34
EGFR P00533 2/20 0.33
LCK P06239 2/20 0.33
BTK Q06187 1/20 0.33
ALK Q9UM73 2/20 0.33
ZAP70 P43403 2/20 0.33
JAK2 O60674 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FGFR3 P22607 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TYK2 P29597 1/20 0.32
MAP4K1 Q92918 1/20 0.32
EML4 Q9HC35 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL3359173 0.87 ALK (0.39) SYKJAK3PTK2EGFRLCK
SCHEMBL3362948 0.82 JAK3 (0.36) SYKJAK3PTK2EGFRLCK
SCHEMBL3359883 0.82 FGFR1 (0.34) SYKJAK3PTK2EGFRLCK
SCHEMBL3359025 0.80 SYK (0.42) SYKJAK3PTK2ALKZAP70
SCHEMBL3360029 0.80 PTK2 (0.42) SYKJAK3PTK2ALKZAP70
SCHEMBL3362350 0.79 ALK (0.38) SYKJAK3PTK2EGFRLCK
SCHEMBL1050369 0.78 ZAP70 (0.56) SYKJAK3PTK2ZAP70JAK2
SCHEMBL3360308 0.78 SYK (0.44) SYKJAK3EGFRLCKBTK
SCHEMBL3359627 0.78 MAP4K1 (0.42) PTK2EGFRBTKALKZAP70
SCHEMBL3359068 0.78 ZAP70 (0.39) SYKJAK3EGFRLCKZAP70

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