SCHEMBL21759286

SCHEMBL21759286

Cn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C=O)n2n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.67
TGFBR2 P37173 9/20 0.67
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48

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
SCHEMBL21759080 0.86 TGFBR1 (0.69) TGFBR1TGFBR2
SCHEMBL18041506 0.84 TGFBR1 (0.81) TGFBR1TGFBR2
SCHEMBL21759288 0.84 TGFBR1 (0.72) TGFBR1TGFBR2
SCHEMBL21759250 0.83 TGFBR1 (0.71) TGFBR1TGFBR2
SCHEMBL21759213 0.82 TGFBR1 (0.73) TGFBR1TGFBR2
SCHEMBL21748160 0.81 TGFBR1 (0.82) TGFBR1TGFBR2
SCHEMBL21759216 0.81 TGFBR1 (0.71) TGFBR1TGFBR2
SCHEMBL21759127 0.81 TGFBR1 (0.71) TGFBR1TGFBR2
SCHEMBL18042038 0.81 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL18042084 0.80 TGFBR1 (1.00) TGFBR1TGFBR2

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-3265454-B1 TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2020-02-26 EP disclosed