SCHEMBL3360647

SCHEMBL3360647

CC(=O)N1CCC(c2ccc(Nc3nc(-c4cccc(S(C)(=O)=O)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.43
JAK2 O60674 5/20 0.41
PTK2 Q05397 3/20 0.41
BRD4 O60885 7/20 0.40
CREBBP Q92793 6/20 0.40
BTK Q06187 1/20 0.39
SYK P43405 1/20 0.38
JAK3 P52333 3/20 0.37
VCP P55072 1/20 0.35
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 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
SCHEMBL3362971 0.90 JAK2 (0.38) ZAP70JAK2PTK2CREBBPBTK
SCHEMBL3360029 0.89 PTK2 (0.42) ZAP70JAK2PTK2SYKJAK3
SCHEMBL3359006 0.84 BTK (0.43) ZAP70JAK2PTK2BRD4CREBBP
SCHEMBL3359108 0.83 ZAP70 (0.44) ZAP70JAK2PTK2BRD4CREBBP
SCHEMBL3358964 0.83 ZAP70 (0.44) ZAP70JAK2PTK2BRD4CREBBP
SCHEMBL3362051 0.83 ZAP70 (0.44) ZAP70JAK2PTK2BRD4CREBBP
SCHEMBL3361613 0.82 ZAP70 (0.43) ZAP70BRD4CREBBPBTKSYK
SCHEMBL3359489 0.82 ZAP70 (0.43) ZAP70JAK2PTK2BRD4CREBBP
SCHEMBL3359747 0.81 ENPP2 (0.44) ZAP70JAK2PTK2BTKSYK
SCHEMBL3361735 0.81 SYK (0.40) ZAP70JAK2PTK2BTKSYK

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