SCHEMBL18436593

SCHEMBL18436593

Cn1nc(COF)cc1C#N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.30

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
SCHEMBL18436350 0.78 AR (0.36) AR
SCHEMBL15273739 0.77 BCHE (0.34) AR
SCHEMBL15261520 0.77 BCHE (0.31)
SCHEMBL17703309 0.75 CTSK (0.37)
SCHEMBL15261612 0.75 HTR2C (0.36)
Hydrochloric Acid SCHEMBL15261504 0.74 HTR2C (0.36)
SCHEMBL10953037 0.70
SCHEMBL24914928 0.69 KDM4E (0.33)
SCHEMBL19805376 0.68 HDAC8 (0.31) AR
SCHEMBL15261449 0.68 OPRL1 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
EP-2822953-B1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-02-01 EP disclosed