SCHEMBL30387367

SCHEMBL30387367

Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)CCO3)n1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.74
MAPK14 Q16539 4/20 0.74
RIPK2 O43353 1/20 0.74
ACVR1B P36896 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
MTOR P42345 1/20 0.61
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
DYRK1A Q13627 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6759987 1.00 TGFBR1 (0.74) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL12187432 0.92 TGFBR1 (0.61) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL29378125 0.85 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373422 0.85 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL29358831 0.85 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
Water SCHEMBL21459280 0.84 TGFBR1 (0.98) TGFBR1MAPK14RIPK2ACVR1BTDP1
Hydrochloric Acid SCHEMBL140197 0.84 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
Hydrochloric Acid SCHEMBL29541686 0.84 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1
Hydrochloric Acid SCHEMBL14778775 0.83 TGFBR1 (0.98) TGFBR1MAPK14RIPK2ACVR1BTDP1
Hydrochloric Acid SCHEMBL29361019 0.83 TGFBR1 (0.98) TGFBR1MAPK14RIPK2ACVR1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116034105-A Heterocyclic compounds as inhibitors of casein kinase 1 delta and/or activin receptor-like kinase 5 亚克医药株式会社 2023-04-28 CN claimed
CN-116034105-B Heterocyclic compounds as inhibitors of casein kinase 1 delta and/or activin receptor-like kinase 5 亚克医药株式会社 2025-07-18 CN disclosed
CN-116034105-A Heterocyclic compounds as inhibitors of casein kinase 1 delta and/or activin receptor-like kinase 5 亚克医药株式会社 2023-04-28 CN disclosed