SCHEMBL18197002

SCHEMBL18197002

CSC1(C(=O)Nc2ccc3c(c2)C(c2ccncc2)NN3)CCN(Cc2ccccc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 9/20 0.41
▸ MAPK1 P28482 9/20 0.41
▸ NPY2R P49146 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL175868 0.80 MAPK3 (0.57) MAPK3MAPK1CYP3A4
SCHEMBL18197030 0.60 SSTR4 (0.37) —
SCHEMBL18197025 0.60 NAMPT (0.39) HTTALDH1A1LMNA
SCHEMBL1146843 0.59 MEN1 (0.53) MAPK1NPY2RMEN1KMT2AHTT
SCHEMBL1147148 0.59 MEN1 (0.52) MAPK1NPY2RMEN1KMT2AHTT
SCHEMBL18197001 0.59 MAP2K1 (0.33) LMNA
SCHEMBL173270 0.58 MAPK1 (0.60) MAPK3MAPK1
SCHEMBL1147231 0.58 MEN1 (0.51) MAPK1NPY2RMEN1KMT2AHTT
SCHEMBL12875147 0.58 MEN1 (0.51) MAPK1NPY2RMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL1146741 0.58 MEN1 (0.50) MAPK1NPY2RMEN1KMT2AHTT

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-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
Send feedback