SCHEMBL30166321

SCHEMBL30166321

Cc1nnnn1-c1nc(Cl)ncc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 1/20 0.41
▸ RPS6KA5 O75582 2/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ KCNN4 O15554 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PRKCQ Q04759 3/20 0.31
▸ LMNA P02545 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
SCHEMBL24054006 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MAPTRPS6KA5NOTUMABL1
SCHEMBL24054153 0.76 SMN1; SMN2 (0.49) SMN1; SMN2MAPTRPS6KA5ABL1BCR
SCHEMBL31205839 0.73 SMN1; SMN2 (0.49) SMN1; SMN2MAPTRPS6KA5ABL1BCR
SCHEMBL25695707 0.72 SMN1; SMN2 (0.48) SMN1; SMN2MAPTRPS6KA5ABL1BCR
SCHEMBL31205699 0.70 RPS6KA5 (0.52) SMN1; SMN2MAPTRPS6KA5ALDH1A1L3MBTL1
SCHEMBL473450 0.69 RPS6KA5 (0.51) SMN1; SMN2MAPTRPS6KA5ALDH1A1L3MBTL1
SCHEMBL17601113 0.68 IDH1 (0.43) MAPTRPS6KA5NOTUMALDH1A1L3MBTL1
SCHEMBL24053482 0.68 SMN1; SMN2 (0.47) SMN1; SMN2MAPTRPS6KA5ALDH1A1L3MBTL1
SCHEMBL1186659 0.66 — —
SCHEMBL30166311 0.66 KMT2A (0.56) SMN1; SMN2MAPTALDH1A1L3MBTL1KMT2A

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-115697991-B Piperazine cyclic ureas 维泰瑞隆有限公司 2024-11-22 — — CN disclosed
CN-115697991-A Piperazine cyclic ureas 维泰瑞隆有限公司 2023-02-03 — — CN disclosed
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