SCHEMBL3359957

SCHEMBL3359957

COc1cncc(-c2cc3c(c(Nc4ccc(OCCN5CCOCC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.43
ZAP70 P43403 2/20 0.43
CDK1 P06493 1/20 0.42
KDR P35968 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAPK9 P45984 3/20 0.41
MAPKAPK2 P49137 3/20 0.41
JAK2 O60674 2/20 0.41
SRC P12931 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
EGFR P00533 1/20 0.39
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL3359502 0.88 ZAP70 (0.43) SYKZAP70CDK1KDRABL1
SCHEMBL3362294 0.86 BCHE (0.45) SYKCDK1KDRJAK2SRC
SCHEMBL3361210 0.84 SRC (0.42) SYKKDRJAK2SRCEGFR
SCHEMBL3359360 0.84 SYK (0.40) SYKCDK1KDRABL1BCR
SCHEMBL1047747 0.80 ZAP70 (0.68) SYKZAP70JAK2
SCHEMBL3359073 0.79 TNIK (0.42) SYKZAP70CDK1KDRABL1
SCHEMBL3362099 0.79 ZAP70 (0.45) SYKZAP70
SCHEMBL3359111 0.79 ZAP70 (0.52) SYKZAP70EGFR
SCHEMBL3360194 0.79 SRC (0.46) SYKMAPK9MAPKAPK2SRCBCHE
SCHEMBL3358415 0.79 SYK (0.41) SYKZAP70KDRABL1AURKA

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 4 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed