SCHEMBL3361613

SCHEMBL3361613

COc1cc(-c2cc3c(c(Nc4ccc(C5CCN(C(C)=O)CC5)cc4)n2)C(=O)[N]C=C3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.43
WNT3A P56704 1/20 0.40
SYK P43405 2/20 0.39
BTK Q06187 2/20 0.38
JAK3 P52333 2/20 0.38
ENPP2 Q13822 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
QDPR P09417 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
FLT3 P36888 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
SCHEMBL3359747 0.90 ENPP2 (0.44) ZAP70WNT3ASYKBTKJAK3
SCHEMBL3358518 0.85 ZAP70 (0.53) ZAP70SYKBTKJAK3QDPR
SCHEMBL3358964 0.84 ZAP70 (0.44) ZAP70WNT3ASYKBTKJAK3
SCHEMBL3359108 0.84 ZAP70 (0.44) ZAP70WNT3ASYKBTKJAK3
SCHEMBL3362051 0.84 ZAP70 (0.44) ZAP70WNT3ASYKBTKJAK3
SCHEMBL3360647 0.82 ZAP70 (0.43) ZAP70SYKBTKJAK3EGFR
SCHEMBL3359721 0.82 SYK (0.43) ZAP70SYKBTKJAK3ENPP2
SCHEMBL3358980 0.82 ZAP70 (0.43) ZAP70WNT3ASYKBTKJAK3
SCHEMBL3359489 0.81 ZAP70 (0.43) ZAP70WNT3ASYKBTKJAK3
SCHEMBL3359006 0.80 BTK (0.43) ZAP70WNT3ASYKBTKJAK3

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