SCHEMBL29501081

SCHEMBL29501081

Cc1cccc(-n2nc3ncccc3c2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.39
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TGFBR1 P36897 7/20 0.36
▸ ACVR1B P36896 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29501083 0.72 TGFBR1 (0.38) IRAK4TGFBR1ACVR1B
SCHEMBL16512869 0.71 ESR2 (0.46) MAPTKDM4E
SCHEMBL11850083 0.66 TGFBR1 (0.46) IRAK4HTR3EHTR3BHTR3AHTR3D
SCHEMBL246878 0.65 ADORA1 (0.48) TGFBR1GRM5MAPTALOX5KDM4E
SCHEMBL24095387 0.64 TGFBR1 (0.38) IRAK4TGFBR1GRM5MAPT
SCHEMBL24142605 0.64 HTR3E (0.44) IRAK4HTR3EHTR3BHTR3AHTR3D
SCHEMBL13968416 0.63 MAPT (0.49) MAPTALOX5KDM4E
SCHEMBL15984783 0.62 HTR3E (0.50) IRAK4HTR3EHTR3BHTR3AHTR3D
SCHEMBL14620840 0.62 LMNA (0.43) MAPTKDM4E
SCHEMBL21297851 0.62 L3MBTL1 (0.42) MAPTKDM4E

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-114380818-A Pyrazolo pyridine compound, and pharmaceutical composition, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-04-22 — — CN disclosed
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