SCHEMBL3390899

SCHEMBL3390899

NCCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cs1.O=C(O)NCCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cs1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.60
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
JAK2 O60674 1/20 0.36
SYK P43405 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL1048533 0.93 ZAP70 (0.69) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1048822 0.90 ZAP70 (0.55) ZAP70JAK2
SCHEMBL1049017 0.86 ZAP70 (0.54) ZAP70JAK2
SCHEMBL1046622 0.85 ZAP70 (0.67) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL13753099 0.85 ZAP70 (0.54) ZAP70JAK2
SCHEMBL27806093 0.81 ZAP70 (0.60) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1046645 0.81 ZAP70 (0.70) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1048405 0.81 ZAP70 (0.63) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1049742 0.81 ZAP70 (0.69) ZAP70TTBK1TTBK2JAK2SYK
SCHEMBL1049197 0.79 ZAP70 (0.60) ZAP70

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed