SCHEMBL21083418

SCHEMBL21083418

Cc1ccn2ncc(C(N)=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.55
TGFBR1 P36897 2/20 0.55
TLR8 Q9NR97 2/20 0.51
JAK1 P23458 14/20 0.44
JAK3 P52333 14/20 0.44
JAK2 O60674 13/20 0.44
TYK2 P29597 13/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13139955 0.85 EPHB3 (0.56) EPHB3TGFBR1TLR8LMNAHTT
SCHEMBL3073610 0.85 EPHB3 (0.56) EPHB3TGFBR1LMNAHTT
SCHEMBL16795174 0.84 EPHB3 (0.49) EPHB3TGFBR1TLR8JAK1JAK3
SCHEMBL13139980 0.83 EPHB3 (0.62) EPHB3TGFBR1LMNAHTT
SCHEMBL17632551 0.82 TGFBR1 (0.50) EPHB3TGFBR1TLR8JAK1JAK3
SCHEMBL19657530 0.81 EPHB3 (0.63) EPHB3TGFBR1JAK2LMNAHTT
SCHEMBL17320982 0.81 EPHB3 (0.56) EPHB3TGFBR1LMNAHTT
SCHEMBL17067859 0.81 TGFBR1 (0.49) EPHB3TGFBR1TLR8JAK1JAK3
SCHEMBL17067855 0.81 TGFBR1 (0.49) EPHB3TGFBR1TLR8JAK1JAK3
SCHEMBL22955512 0.80 TGFBR1 (0.49) EPHB3TGFBR1TLR8JAK1JAK3

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
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 EP disclosed