SCHEMBL5852289

SCHEMBL5852289

C[C](C)c1ccc(-c2n[nH]cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.43
TGFBR2 P37173 2/20 0.43
FLT3 P36888 2/20 0.37
NRAS P01111 1/20 0.37

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
SCHEMBL3855569 0.88 TGFBR1 (0.50) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3846558 0.86 TGFBR1 (0.44) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3854481 0.85 TGFBR1 (0.46) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3851466 0.83 TGFBR1 (0.46) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3845225 0.83 IRAK4 (0.51) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3857529 0.83 IRAK4 (0.50) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3855814 0.82 TGFBR1 (0.42) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3847555 0.82 MKNK1 (0.57) TGFBR1
SCHEMBL3851651 0.82 TGFBR1 (0.45) TGFBR1TGFBR2
SCHEMBL13874612 0.82 TGFBR1 (0.42) TGFBR1TGFBR2FLT3NRAS

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
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed