SCHEMBL28463522

SCHEMBL28463522

NC(=O)Oc1ccc(C(O)c2n[nH]c3ncccc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
CAMKK2 Q96RR4 1/20 0.31

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
SCHEMBL28467009 0.80 MAP2K1 (0.43) MAP2K1CAMKK2
SCHEMBL22978453 0.77 NPC1 (0.35) PARP1PARP2PARP3
SCHEMBL28466209 0.75 CAMKK2 (0.37) MAP2K1PARP1CAMKK2
SCHEMBL28462467 0.72 MAP2K1 (0.47) MAP2K1CAMKK2
SCHEMBL23630658 0.66 NNMT (0.41)
SCHEMBL27927500 0.66 POLB (0.47) MAP2K1PARP1CAMKK2
SCHEMBL25167319 0.65 CA12 (0.50)
SCHEMBL28355063 0.65 PIK3CA (0.35)
SCHEMBL27710771 0.64 NNMT (0.39)
SCHEMBL29732854 0.64 CAMKK2 (0.46) MAP2K1PARP1CAMKK2

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-110461849-B CSF1R inhibitor and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-09-01 CN disclosed
CN-110461849-A A kind of CSF1R inhibitor and its preparation method and application ABBISKO THERAPEUTICS CO LTD 2019-11-15 CN disclosed