SCHEMBL17570710

SCHEMBL17570710

Nn1cc(-c2ccc(C3(CN4Cc5ccc(F)cc5C4=O)NC(=O)NC3=O)cc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.72
ADAM10 O14672 1/20 0.64
MMP1 P03956 1/20 0.64
MMP2 P08253 1/20 0.64
MMP14 P50281 1/20 0.64

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
SCHEMBL7899524 0.91 ADAM17 (0.78) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL14466298 0.89 ADAM17 (0.65) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7899477 0.89 ADAM17 (0.86) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL8227461 0.87 ADAM17 (0.75) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7897522 0.86 ADAM17 (0.82) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7897431 0.86 ADAM17 (0.81) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL5956272 0.86 ADAM17 (0.81) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7903343 0.86 ADAM17 (0.84) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7905361 0.86 ADAM17 (0.84) ADAM17ADAM10MMP1MMP2MMP14
SCHEMBL7900271 0.86 ADAM17 (0.84) ADAM17ADAM10MMP1MMP2MMP14

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-1976849-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2016-03-09 EP disclosed