SCHEMBL3239488

SCHEMBL3239488

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.47
RAF1 P04049 1/20 0.45
ERN1 O75460 1/20 0.45
TNFRSF1A P19438 1/20 0.44
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
ABCB1 P08183 2/20 0.44
ABCC1 P33527 2/20 0.44
PRKD3 O94806 1/20 0.44
EGFR P00533 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
LCK P06239 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
ZAP70 P43403 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44

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
SCHEMBL3239503 0.81 BRAF (0.45) BRAFRAF1ABCB1ABCC1PRKD3
SCHEMBL14610869 0.79 ERN1 (0.65) ERN1TNFRSF1ACYP3A4CYP2A6CYP2C9
SCHEMBL3242699 0.75 FYN (0.59) IKBKETBK1EGFRCYP3A4CYP2A6
SCHEMBL16248315 0.71 BRAF (0.54) BRAFEGFR
SCHEMBL4601799 0.69 ERN1 (0.65) ERN1TNFRSF1A
SCHEMBL3244847 0.67 PLK1 (0.56) BRAFABCB1ABCC1EGFRLCK
SCHEMBL6893754 0.67 FYN (0.48) BRAFABCB1ABCC1PRKD3EGFR
SCHEMBL13356447 0.67 CYP3A4 (0.43) IKBKETBK1CYP3A4CYP2A6CYP2C9
SCHEMBL6976607 0.67 ZAP70 (0.69) PRKD3EGFRPRKCGPRKCBLCK
SCHEMBL13078327 0.66 KDM4E (0.69) ERN1CYP3A4CYP2A6CYP2C9CYP2C19

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 3 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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed