SCHEMBL3359671

SCHEMBL3359671

CC(C)Oc1cncc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.46
MAP4K1 Q92918 12/20 0.36
FLT3 P36888 1/20 0.34
SYK P43405 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BRD4 O60885 2/20 0.34
MAP4K3 Q8IVH8 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
SCHEMBL3359111 0.91 ZAP70 (0.52) ZAP70MAP4K1SYKBRD4MAP4K3
SCHEMBL3358601 0.87 ZAP70 (0.49) ZAP70MAP4K1SYK
SCHEMBL3362351 0.86 ZAP70 (0.49) ZAP70MAP4K1SYK
SCHEMBL3358971 0.84 ZAP70 (0.47) ZAP70MAP4K1BRD4MAP4K3
SCHEMBL3358415 0.83 SYK (0.41) ZAP70SYKBRD4
SCHEMBL3360188 0.82 ZAP70 (0.48) ZAP70SYK
SCHEMBL3363298 0.82 ZAP70 (0.47) ZAP70SYK
SCHEMBL3362595 0.82 ZAP70 (0.48) ZAP70SYKCYP11B1CYP11B2
SCHEMBL3358518 0.82 ZAP70 (0.53) ZAP70SYKCYP11B2BRD4
SCHEMBL3363124 0.82 ZAP70 (0.46) ZAP70MAP4K1BRD4MAP4K3

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