SCHEMBL22167692

SCHEMBL22167692

Cc1nc(C2(O)CC2)co1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.37
ENPP1 P22413 1/20 0.37
FPR2 P25090 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL27412061 0.84 ENPP3 (0.35) ENPP3ENPP1
SCHEMBL1918867 0.75 ENPP3 (0.37) ENPP3ENPP1IDH1
SCHEMBL22167693 0.75
SCHEMBL9926026 0.71 FPR2 (0.32) FPR2
SCHEMBL15301333 0.66 FPR2 (0.32) FPR2
SCHEMBL9050553 0.64
SCHEMBL2142050 0.64
SCHEMBL10094142 0.62
SCHEMBL22167626 0.62
SCHEMBL19507966 0.62 GAA (0.33)

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-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 WO disclosed