SCHEMBL3362586

SCHEMBL3362586

COc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)CNC=C3)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.44
MAP4K1 Q92918 6/20 0.42
JAK2 O60674 4/20 0.41
JAK3 P52333 3/20 0.41
PTK2 Q05397 3/20 0.41
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
AURKA O14965 1/20 0.37
LRRK2 Q5S007 1/20 0.37
HTR2C P28335 1/20 0.37
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL3360691 0.84 INSR (0.41) ZAP70MAP4K1JAK2JAK3PTK2
SCHEMBL27805895 0.82 ZAP70 (0.43) ZAP70MAP4K1JAK2JAK3PTK2
SCHEMBL3359744 0.81 CYP1A2 (0.53) ZAP70JAK2LRRK2
SCHEMBL3362139 0.81 SYK (0.48) ZAP70MAP4K1JAK2
SCHEMBL27826756 0.80 ZAP70 (0.53) ZAP70JAK3BRD4CREBBP
SCHEMBL1047400 0.77 ZAP70 (0.73) ZAP70MAP4K1JAK2JAK3PTK2
SCHEMBL3362816 0.74 ZAP70 (0.41) ZAP70JAK2JAK3PTK2BRD4
SCHEMBL27806144 0.74 ZAP70 (0.38) ZAP70MAP4K1JAK2JAK3PTK2
SCHEMBL3392301 0.74 RET (0.41) ZAP70MAP4K1JAK2JAK3PTK2
SCHEMBL3388909 0.74 ACP1 (0.41) JAK3

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