SCHEMBL3361998

SCHEMBL3361998

Cc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(=O)[N]C=C3)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.42
BRD4 O60885 3/20 0.40
BTK Q06187 1/20 0.39
KCNH2 Q12809 1/20 0.38
EML4 Q9HC35 1/20 0.37
ALK Q9UM73 1/20 0.37
EGFR P00533 1/20 0.36
WEE1 P30291 3/20 0.36
MAP4K1 Q92918 7/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL3359787 0.90 SLC18A3 (0.36) ZAP70BRD4BTKKCNH2EML4
SCHEMBL3359006 0.90 BTK (0.43) ZAP70BRD4BTKEGFRJAK2
SCHEMBL3360902 0.90 SYK (0.39) ZAP70BRD4BTKEGFRJAK2
SCHEMBL3362321 0.89 TGFBR1 (0.35) ZAP70BRD4BTKKCNH2EGFR
SCHEMBL3362356 0.89 BTK (0.38) ZAP70BRD4BTKALKWEE1
SCHEMBL3360034 0.88 ZAP70 (0.45) ZAP70EGFRWEE1
SCHEMBL3362295 0.86 ZAP70 (0.41) ZAP70BRD4BTKEML4ALK
SCHEMBL3360687 0.85 ZAP70 (0.47) ZAP70BRD4MAP4K1
SCHEMBL3362296 0.84 ZAP70 (0.49) ZAP70BRD4MAP4K1
SCHEMBL3358746 0.83 ZAP70 (0.43) ZAP70BRD4EML4ALKEGFR

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