SCHEMBL18360644

SCHEMBL18360644

Cc1cccc(C)c1CN1CCC[C@@H](NC(=O)N2CCC3=C(C2)C(c2ccc4c(cnn4C)c2)NN3)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
KAT2B Q92831 1/20 0.37

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
SCHEMBL18360687 0.82 MAPK1 (0.40) MAPK1
SCHEMBL18360678 0.81
SCHEMBL15084381 0.80
SCHEMBL18360581 0.76
SCHEMBL18360724 0.76 PDE1C (0.44) KDM2B
SCHEMBL18360680 0.76 MAPK1 (0.44) MAPK1
SCHEMBL18360589 0.76
SCHEMBL18360605 0.75 MAPK1 (0.46) MAPK1
SCHEMBL18360587 0.74 MAPK1 (0.46) MAPK1
SCHEMBL15065273 0.73 MAPK1 (0.55) MAPK1

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-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed