SCHEMBL29259779

SCHEMBL29259779

Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3[nH]cnc3c2)n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.71
MTOR P42345 1/20 0.71
MAPK14 Q16539 12/20 0.60
RIPK2 O43353 2/20 0.60
ACVR1B P36896 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP2D6 P10635 3/20 0.41
TGFBR2 P37173 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
KDR P35968 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL30938087 1.00 TGFBR1 (0.71) TGFBR1MTORMAPK14RIPK2ACVR1B
Hydrochloric Acid SCHEMBL30469510 0.98 TGFBR1 (0.69) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6760983 0.91 TGFBR1 (0.71) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL29361209 0.83 TGFBR1 (1.00) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL373474 0.83 TGFBR1 (1.00) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6757519 0.80 TGFBR1 (0.74) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL7250793 0.80 TGFBR1 (0.74) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6762324 0.79 TGFBR1 (0.80) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL4479537 0.78 TGFBR1 (0.68) TGFBR1MTORMAPK14RIPK2ACVR1B
Hydrochloric Acid SCHEMBL29403926 0.78 TGFBR1 (0.59) TGFBR1MTORMAPK14RIPK2ACVR1B

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
CN-118076727-A Alveolar organoids and methods of making and using the same 港大科桥有限公司 2024-05-24 CN disclosed