SCHEMBL25795703

SCHEMBL25795703

N#CC1CCC(C(=O)N2CCN(c3ccnn4cc(-c5ccc(N6CCNCC6)cc5)cc34)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.41
IDH1 O75874 1/20 0.41
KHK P50053 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RUVBL1 Q9Y265 1/20 0.39
BMP4 P12644 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KDR P35968 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL19481915 1.00 RET (0.41) RETIDH1KHKTDP1RUVBL1
SCHEMBL19458948 0.93 TDP1 (0.45) RETKHKTDP1RUVBL1BMP4
SCHEMBL25155062 0.92 RET (0.39) RETKHKRUVBL1BMP4KDR
SCHEMBL19481702 0.90 MAPT (0.44) RETKHKTDP1RUVBL1BMP4
SCHEMBL19481966 0.89 MAPK8 (0.41) RETIDH1TDP1RUVBL1
SCHEMBL19486471 0.89 MAPK8 (0.41) RETIDH1TDP1RUVBL1
SCHEMBL19486349 0.89 RET (0.39) RETIDH1TDP1RUVBL1ALDH1A1
SCHEMBL19481975 0.89 RET (0.39) RETIDH1TDP1RUVBL1ALDH1A1
SCHEMBL19481798 0.84 BMP4 (0.40) RETKHKRUVBL1BMP4KDR
SCHEMBL19481916 0.84 RET (0.37) RET

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-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed