SCHEMBL23720744

SCHEMBL23720744

Cc1ncccc1-c1ccnc(C(=O)Nc2cccc(-c3nncn3C3CCC3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 7/20 0.59
CBLB Q13191 9/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CD274 Q9NZQ7 1/20 0.42
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MYLK Q15746 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL943454 0.96 MAP3K5 (0.63) MAP3K5CBLBLMNAGAACD274
SCHEMBL14482051 0.90 MAP3K5 (0.63) MAP3K5CBLBLMNAGAACD274
SCHEMBL947146 0.87 MAP3K5 (0.62) MAP3K5CBLBLMNAGAACD274
SCHEMBL943352 0.86 MAP3K5 (0.60) MAP3K5CBLBLMNAGAACD274
SCHEMBL943911 0.86 MAP3K5 (0.61) MAP3K5CBLBLMNAGAAMYLK
SCHEMBL944324 0.85 MAP3K5 (0.60) MAP3K5CBLBLMNAGAACD274
SCHEMBL1082642 0.85 MAP3K5 (0.60) MAP3K5CBLBLMNAGAACD274
SCHEMBL1082758 0.84 MAP3K5 (0.68) MAP3K5CBLBLMNAGAACD274
SCHEMBL945365 0.84 MAP3K5 (0.61) MAP3K5CBLBLMNAGAAMYLK
SCHEMBL943988 0.84 MAP3K5 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed