SCHEMBL5200700

SCHEMBL5200700

Cc1cccc(-c2nc(C34CCC(C(=O)NO)(CC3)CC4)[nH]c2-c2ccc3ncn(C)c(=O)c3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.45
ACVR1B P36896 1/20 0.42
ACVR1 Q04771 2/20 0.37
TGFBR2 P37173 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
MAPK14 Q16539 8/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL4339257 0.91 TGFBR1 (0.46) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL4334304 0.91 TGFBR1 (0.45) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL4350318 0.91 TGFBR1 (0.55) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL4350435 0.84 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14
SCHEMBL4347711 0.79 TGFBR1 (0.70) TGFBR1ACVR1BMAPK14KDM4E
SCHEMBL4332553 0.76 TGFBR1 (0.55) TGFBR1MAPK14
SCHEMBL4343678 0.74 TGFBR1 (0.51) TGFBR1ACVR1BMAPK14
SCHEMBL4339418 0.74 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14
SCHEMBL4339282 0.74 TGFBR1 (0.62) TGFBR1ACVR1BMAPK14
SCHEMBL4337372 0.70 TGFBR1 (0.69) TGFBR1ACVR1BMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed