SCHEMBL24312355

SCHEMBL24312355

NCCCCOc1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.57
TGFBR2 P37173 6/20 0.57
MAP3K20 Q9NYL2 6/20 0.56
THRB P10828 3/20 0.52
MAPK14 Q16539 1/20 0.46

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
SCHEMBL24312354 0.95 TGFBR1 (0.57) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24312011 0.88 TGFBR1 (0.61) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24312440 0.86 TGFBR1 (0.56) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24311955 0.84 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24311946 0.83 TGFBR1 (0.60) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24312016 0.81 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL4820595 0.79 TGFBR1 (0.72) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24311945 0.79 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL24311996 0.79 TGFBR1 (0.53) TGFBR1TGFBR2MAP3K20THRB
SCHEMBL4821173 0.79 TGFBR1 (0.62) TGFBR1TGFBR2MAP3K20THRBMAPK14

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-2022076905-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed