SCHEMBL21277970

SCHEMBL21277970

Cc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCCC3)n1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 18/20 0.70
▸ MAPK14 Q16539 2/20 0.55
▸ MTOR P42345 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ KDR P35968 1/20 0.41

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
SCHEMBL17767754 0.82 TGFBR1 (0.69) TGFBR1MAPK14
SCHEMBL14576284 0.82 TGFBR1 (1.00) TGFBR1MAPK14MTOR
SCHEMBL30203933 0.82 TGFBR1 (1.00) TGFBR1MAPK14MTOR
SCHEMBL17767719 0.81 TGFBR1 (0.57) TGFBR1MAPK14PDE10A
SCHEMBL21277990 0.81 TGFBR1 (0.62) TGFBR1MAPK14MTORKDR
SCHEMBL17767428 0.81 TGFBR1 (0.68) TGFBR1MAPK14PDE10A
SCHEMBL30203968 0.80 TGFBR1 (1.00) TGFBR1MAPK14MTOR
SCHEMBL14576531 0.80 TGFBR1 (1.00) TGFBR1MAPK14MTOR
SCHEMBL17767792 0.78 TGFBR1 (0.48) TGFBR1PDE10A
SCHEMBL17767422 0.77 TGFBR1 (0.47) TGFBR1MAPK14PDE10A

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
EP-3527570-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-08-21 — — EP disclosed
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