SCHEMBL3239503

SCHEMBL3239503

COc1cc(Nc2ccc(-c3ccc(CC=O)s3)cn2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.45
EGFR P00533 7/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
LCK P06239 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
ZAP70 P43403 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL3239488 0.81 BRAF (0.47) BRAFEGFRPRKD3PRKCGPRKCB
SCHEMBL16248315 0.70 BRAF (0.54) BRAFEGFRMEN1KMT2A
SCHEMBL6893754 0.68 FYN (0.48) BRAFEGFRPRKD3PRKCGPRKCB
SCHEMBL3244847 0.66 PLK1 (0.56) BRAFEGFRLCKABCB1ABCC1
SCHEMBL6976607 0.65 ZAP70 (0.69) EGFRPRKD3PRKCGPRKCBLCK
SCHEMBL4035868 0.63 IGF1R (0.73) BRAFEGFRMEN1KMT2A
SCHEMBL2765544 0.63 ALDH1A1 (0.41) EGFRMEN1KMT2ATUBB4ATUBB
SCHEMBL2763893 0.63 CYP2A6 (0.44) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL1122019 0.62 BRAF (1.00) BRAFRAF1
SCHEMBL6975402 0.62 ZAP70 (0.82) EGFRPRKD3PRKCGPRKCBLCK

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed