SCHEMBL21557943

SCHEMBL21557943

FC1CN(c2cnc3[nH]cc(I)c3c2)CC(F)(F)O1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ METAP2 P50579 2/20 0.35

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
SCHEMBL20503927 0.83 MAPK1 (0.49) MAPK1BRD4METAP2
SCHEMBL21557694 0.77 SLC6A2 (0.38) METAP2
SCHEMBL21557634 0.76 — —
SCHEMBL20504001 0.74 MAPK1 (0.43) MAPK1BRD4METAP2
SCHEMBL21541546 0.73 BRD4 (0.41) MAPK1BRD4METAP2
SCHEMBL20504242 0.73 MAPK1 (0.49) MAPK1BRD4METAP2
SCHEMBL20503958 0.73 MAPK1 (0.49) MAPK1BRD4METAP2
SCHEMBL20504101 0.73 BRD4 (0.41) MAPK1BRD4METAP2
SCHEMBL20503996 0.73 MAPK1 (0.49) MAPK1BRD4METAP2
SCHEMBL20504100 0.73 BRD4 (0.41) MAPK1BRD4METAP2

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-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 — — EP disclosed
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