SCHEMBL3358980

SCHEMBL3358980

CC(=O)N1CCC(c2ccc(Nc3nc(-c4cnc(F)c(C)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.43
SYK P43405 1/20 0.41
BTK Q06187 2/20 0.40
WNT3A P56704 1/20 0.37
AXL P30530 1/20 0.36
PTK2 Q05397 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MARK3 P27448 1/20 0.35
BRD4 O60885 3/20 0.35
JAK2 O60674 2/20 0.35
CREBBP Q92793 1/20 0.35
MAP3K12 Q12852 2/20 0.34
JAK3 P52333 2/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 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
SCHEMBL3362051 0.90 ZAP70 (0.44) ZAP70SYKBTKWNT3AAXL
SCHEMBL3359108 0.89 ZAP70 (0.44) ZAP70SYKBTKWNT3AAXL
SCHEMBL3359489 0.88 ZAP70 (0.43) ZAP70SYKBTKWNT3AAXL
SCHEMBL3358964 0.88 ZAP70 (0.44) ZAP70SYKBTKWNT3AAXL
SCHEMBL3359747 0.85 ENPP2 (0.44) ZAP70SYKBTKWNT3APTK2
SCHEMBL3359078 0.84 ZAP70 (0.39) ZAP70SYKBTKWNT3AAXL
SCHEMBL27826726 0.83 ZAP70 (0.43) ZAP70SYKBTKWNT3AAXL
SCHEMBL3358518 0.83 ZAP70 (0.53) ZAP70SYKBTKCYP11B2BRD4
SCHEMBL3359236 0.83 ZAP70 (0.39) ZAP70SYKBTKWNT3AAXL
SCHEMBL3359665 0.82 SYK (0.43) ZAP70SYKBTKAXLPTK2

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