SCHEMBL25469851

SCHEMBL25469851

CCCN(C)c1cnc2c(C)cnn2c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.31
HCAR3 P49019 1/20 0.31
SMPD3 Q9NY59 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
SCHEMBL25791703 0.66 KDR (0.36)
SCHEMBL28979830 0.66 KDR (0.33) SMPD3
SCHEMBL13960990 0.66 KDR (0.37)
SCHEMBL25791708 0.64 TGFBR2 (0.51)
SCHEMBL25097592 0.64 KDR (0.32)
SCHEMBL19237242 0.63 SMPD3 (0.48) CRHR1SMPD3
SCHEMBL24767177 0.62 KDM4E (0.43)
SCHEMBL23728532 0.62 ALDH1A1 (0.55)
SCHEMBL16848725 0.60 HCAR3 (0.39) HCAR3
SCHEMBL12781461 0.60 HCAR3 (0.38) HCAR3

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
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed