SCHEMBL21980754

SCHEMBL21980754

CNCC(C)/C=C(\NC)NC(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 2/20 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
SCHEMBL23735441 0.67 TSHR (0.30)
SCHEMBL24507862 0.67 TSHR (0.30)
SCHEMBL22079314 0.65
SCHEMBL18377511 0.64 TSHR (0.31)
SCHEMBL20968423 0.62 TSHR (0.30)
SCHEMBL23252548 0.62 TSHR (0.30)
SCHEMBL18599675 0.62 TSHR (0.39)
SCHEMBL24611354 0.61 KISS1R (0.33) KISS1R
SCHEMBL20967260 0.61
SCHEMBL14417120 0.61

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-3019480-B1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed