SCHEMBL3360824

SCHEMBL3360824

COc1cc(Nc2nc(-c3cnc(N)nc3)cc3c2C(=O)[N]C=C3)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.40
DHFR P00374 2/20 0.39
LCK P06239 5/20 0.38
ZAP70 P43403 3/20 0.37
PRKD3 O94806 2/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCI P41743 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCZ Q05513 2/20 0.37
PRKCD Q05655 2/20 0.37
PRKD1 Q15139 2/20 0.37
JAK2 O60674 1/20 0.37
CYP3A4 P08684 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
EGFR P00533 2/20 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
SCHEMBL3358946 0.90 SYK (0.46) BRAFZAP70EGFRSYKCD63
SCHEMBL3360065 0.89 PIK3CG (0.41) BRAFDHFRZAP70JAK2CYP3A4
SCHEMBL3359690 0.83 PIK3CA (0.46) EGFRKDRSYKPIK3CG
SCHEMBL3359807 0.75 FYN (0.41) BRAFEGFRSYKCD63MAP3K11
SCHEMBL3362467 0.73 ZAP70 (0.49) ZAP70
SCHEMBL3362688 0.73 SYK (0.32) SYK
SCHEMBL1050363 0.72 ZAP70 (0.48) BRAFLCKZAP70PRKD3PRKCG
SCHEMBL1048834 0.72 ZAP70 (0.68) BRAFDHFRLCKZAP70PRKD3
SCHEMBL3358964 0.71 ZAP70 (0.44) LCKZAP70JAK2JAK3EGFR
SCHEMBL3362714 0.70 ABL1 (0.45) ZAP70JAK2JAK3AURKAKDR

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