SCHEMBL3361999

SCHEMBL3361999

Cc1ccncc1-c1cc2c(c(Nc3ccc(C4CCN(C)CC4)cc3)n1)C(=O)[N]C=C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 13/20 0.51
ZAP70 P43403 2/20 0.44
BRD4 O60885 3/20 0.41
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.36
MAP4K3 Q8IVH8 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
SCHEMBL3360354 0.90 MAP4K1 (0.41) MAP4K1ZAP70BRD4EGFRBTK
SCHEMBL3362901 0.90 MAP4K1 (0.44) MAP4K1ZAP70BRD4EGFR
SCHEMBL3358348 0.87 ZAP70 (0.41) MAP4K1ZAP70BRD4BTKMAP4K3
SCHEMBL3362296 0.84 ZAP70 (0.49) MAP4K1ZAP70BRD4MAP4K3
SCHEMBL3359724 0.83 ZAP70 (0.40) MAP4K1ZAP70BRD4EGFRBTK
SCHEMBL3360687 0.83 ZAP70 (0.47) MAP4K1ZAP70BRD4MAP4K3
SCHEMBL3361998 0.82 ZAP70 (0.42) MAP4K1ZAP70BRD4EGFRBTK
SCHEMBL3359627 0.82 MAP4K1 (0.42) MAP4K1ZAP70BRD4EGFRBTK
SCHEMBL3363125 0.81 ZAP70 (0.49) MAP4K1ZAP70BRD4MAP4K3
SCHEMBL3358746 0.81 ZAP70 (0.43) MAP4K1ZAP70BRD4EGFRMAP4K3

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 4 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
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