SCHEMBL3359665

SCHEMBL3359665

CC(=O)N1CCC(c2ccc(Nc3nc(-c4ccncc4F)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ZAP70 P43403 2/20 0.40
BTK Q06187 1/20 0.38
AXL P30530 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
PTK2 Q05397 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MARK3 P27448 1/20 0.36
BRD4 O60885 3/20 0.35
JAK2 O60674 2/20 0.35
CREBBP Q92793 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GSK3B P49841 1/20 0.35
FLT3 P36888 1/20 0.35
NAMPT P43490 3/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 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
SCHEMBL3359078 0.86 ZAP70 (0.39) SYKZAP70BTKAXLPTK2
SCHEMBL3359489 0.85 ZAP70 (0.43) SYKZAP70BTKAXLPTK2
SCHEMBL3359236 0.85 ZAP70 (0.39) SYKZAP70BTKAXLPTK2
SCHEMBL3362051 0.84 ZAP70 (0.44) SYKZAP70BTKAXLPTK2
SCHEMBL3358980 0.82 ZAP70 (0.43) SYKZAP70BTKAXLPTK2
SCHEMBL3359108 0.82 ZAP70 (0.44) SYKZAP70BTKAXLPTK2
SCHEMBL3358964 0.82 ZAP70 (0.44) SYKZAP70BTKAXLPTK2
SCHEMBL3359006 0.81 BTK (0.43) SYKZAP70BTKAXLPTK2
SCHEMBL3358518 0.81 ZAP70 (0.53) SYKZAP70BTKCYP11B2BRD4
SCHEMBL3361999 0.80 MAP4K1 (0.51) ZAP70BTKBRD4EGFR

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