SCHEMBL30508266

SCHEMBL30508266

COC(=O)c1cc(-c2ccc(N3CC4(COC4)C3)cc2)cnc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.49
BMPR1B O00238 9/20 0.49
BMPR1A P36894 9/20 0.49
ACVRL1 P37023 9/20 0.49
ACVR1 Q04771 9/20 0.49
TBK1 Q9UHD2 3/20 0.44
IKBKE Q14164 2/20 0.44
FYN P06241 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAK O14976 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL29042113 0.87 BMPR1B (0.48) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508283 0.84 BMPR1B (0.69) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508345 0.75 BMPR1B (0.59) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508265 0.74 AXL (0.58) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL29042029 0.74 AXL (0.58) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL20897468 0.74 ALDH1A1 (0.52) USP2ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL3713695 0.74 AXL (0.59) TBK1IKBKEFYNALDH1A1HSD17B10
SCHEMBL29152375 0.72 BMPR1B (0.64) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL30508414 0.72 BMPR1B (0.64) TGFBR1BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL24532876 0.72 MAPT (0.41) ACVR1USP2ALDH1A1CYP1A2CYP3A4

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
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed