SCHEMBL993196

SCHEMBL993196

O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1ncccc1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 7/20 0.56
ACKR3 P25106 2/20 0.45
CBLB Q13191 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CLK1 P49759 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
MYLK Q15746 1/20 0.39
PRKCI P41743 1/20 0.39
GRM4 Q14833 1/20 0.38
ELANE P08246 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 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
SCHEMBL20544694 0.86 MAP3K5 (0.56) MAP3K5CBLBLMNAGAACLK1
SCHEMBL952626 0.84 MAP3K5 (0.67) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL945572 0.82 MAP3K5 (0.68) MAP3K5CBLBLMNAGAACLK1
SCHEMBL14482053 0.81 MAP3K5 (0.55) MAP3K5CBLBLMNAGAACLK1
SCHEMBL17180502 0.81 MAP3K5 (0.57) MAP3K5CBLBLMNAGAACLK1
SCHEMBL20473168 0.81 MAP3K5 (0.57) MAP3K5CBLBLMNAGAACLK1
SCHEMBL16354006 0.80 MAP3K5 (0.49) MAP3K5CBLBLMNAGAACLK1
SCHEMBL943988 0.79 MAP3K5 (0.69) MAP3K5CBLBLMNAGAACLK1
SCHEMBL945360 0.79 MAP3K5 (0.66) MAP3K5CBLBLMNAGAACLK1
SCHEMBL14482051 0.79 MAP3K5 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed