SCHEMBL21067407

SCHEMBL21067407

CNc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CC#N)cc2)n1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 18/20 0.82
▸ AKT1 P31749 1/20 0.74
▸ TGFBR1 P36897 1/20 0.74
▸ GSK3A P49840 1/20 0.74
▸ GSK3B P49841 1/20 0.74
▸ STK4 Q13043 1/20 0.74
▸ STK3 Q13188 1/20 0.74
▸ BMPR2 Q13873 1/20 0.74
▸ STK26 Q9P289 1/20 0.74
▸ STK24 Q9Y6E0 1/20 0.74
▸ RET P07949 1/20 0.51

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
SCHEMBL15956798 0.88 IGF1R (0.79) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL15957070 0.85 IGF1R (0.74) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL1164728 0.85 AKT1 (1.00) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL12430931 0.85 IGF1R (0.73) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL22917504 0.83 IGF1R (0.68) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL15957087 0.81 IGF1R (0.68) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL28366859 0.80 IGF1R (0.63) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL12430680 0.79 ULK1 (0.73) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL30770809 0.79 ULK1 (0.73) IGF1RAKT1TGFBR1GSK3AGSK3B
SCHEMBL22917408 0.79 IGF1R (0.62) IGF1RAKT1TGFBR1GSK3AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
Send feedback