SCHEMBL28539656

SCHEMBL28539656

Cc1cccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCOC(N)=O)cc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.44
MAPK14 Q16539 9/20 0.41
KDR P35968 6/20 0.41
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
RIPK2 O43353 2/20 0.38
ACVR1B P36896 2/20 0.38
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
PRKD1 Q15139 1/20 0.36

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
SCHEMBL28552520 0.93 TGFBR1 (0.42) TGFBR1MAPK14KDRPPARDPPARA
SCHEMBL29528228 0.83 TGFBR1 (0.41) TGFBR1MAPK14KDRRIPK2ACVR1B
SCHEMBL21932018 0.83 TGFBR1 (0.41) TGFBR1MAPK14KDRRIPK2ACVR1B
SCHEMBL5907484 0.82 TGFBR1 (0.50) TGFBR1MAPK14KDRRIPK2
SCHEMBL31373673 0.81 TGFBR1 (0.40) TGFBR1MAPK14KDRRIPK2ACVR1B
SCHEMBL23873805 0.81 TGFBR1 (0.42) TGFBR1MAPK14KDRPPARDPPARA
SCHEMBL21932064 0.80 TGFBR1 (0.46) TGFBR1MAPK14KDRRIPK2
SCHEMBL21375765 0.79 TGFBR1 (0.44) TGFBR1MAPK14KDRRIPK2
SCHEMBL5907474 0.79 TGFBR1 (0.46) TGFBR1MAPK14KDRRIPK2
SCHEMBL5907522 0.78 MAT2A (0.43) TGFBR1MAPK14KDRRIPK2

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-115052663-A ALK5 inhibitor conjugates and uses thereof 辛瑟斯治疗股份有限公司 2022-09-13 CN disclosed
CN-114269388-A antibody-ALK 5 inhibitor conjugates and uses thereof 辛瑟斯治疗股份有限公司 2022-04-01 CN disclosed
CN-112601522-A antibody-ALK 5 inhibitor conjugates and uses thereof 辛瑟斯治疗股份有限公司 2021-04-02 CN disclosed