SCHEMBL16354012

SCHEMBL16354012

O=C(O)Nc1ccc(-c2ccnc(C(=O)Nc3cccc(-c4nncn4C4CC4)c3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 8/20 0.62
CBLB Q13191 5/20 0.44
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
WNT3A P56704 1/20 0.38
CLK1 P49759 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL944923 0.92 MAP3K5 (0.61) MAP3K5CBLBLMNAGAACLK1
SCHEMBL943985 0.92 MAP3K5 (0.58) MAP3K5CBLBLMNAGAAWNT3A
SCHEMBL15423230 0.91 MAP3K5 (0.59) MAP3K5CBLBLMNAGAACLK1
SCHEMBL946695 0.90 MAP3K5 (0.58) MAP3K5CBLBLMNAGAAWNT3A
SCHEMBL14553730 0.90 MAP3K5 (0.62) MAP3K5CBLBLMNAGAACCNC
SCHEMBL945190 0.90 MAP3K5 (0.63) MAP3K5CBLBLMNAGAAALDH1A1
SCHEMBL945922 0.90 MAP3K5 (0.66) MAP3K5CBLBLMNAGAACCNC
SCHEMBL945552 0.90 MAP3K5 (0.63) MAP3K5CBLBLMNAGAACLK1
SCHEMBL943988 0.89 MAP3K5 (0.69) MAP3K5CBLBLMNAGAACCNC
SCHEMBL944241 0.89 MAP3K5 (0.62) MAP3K5CBLBLMNAGAACLK1

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
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 EP claimed
EP-2933252-B1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC (US) 2018-01-03 EP claimed
EP-2454250-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-01-14 EP claimed