SCHEMBL30527729

SCHEMBL30527729

CN(C)c1ncncc1C1CNC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.34
▸ AURKA O14965 2/20 0.34
▸ EGFR P00533 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CHRNB2 P17787 4/20 0.33
▸ CHRNA4 P43681 4/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ CHRNA2 Q15822 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ CHEK2 O96017 1/20 0.32

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
SCHEMBL25306038 1.00 CHEK1 (0.34) CHEK1AURKAEGFRCYP11B1CYP11B2
SCHEMBL25259343 0.73 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL31250340 0.72 HTR2A (0.39) EGFRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25305763 0.72 HTR2A (0.39) EGFRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31152732 0.69 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL26126648 0.67 CYP2D6 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL31232891 0.67 CYP2D6 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL24861474 0.65 CHEK1 (0.38) CHEK1AURKAEGFRCYP11B1CYP11B2
SCHEMBL7895339 0.64 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4880551 0.63 CHEK1 (0.41) CHEK1AURKAEGFRCYP11B1CYP11B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4463459-A1 STAT MODULATORS AND USES THEREOF Recludix Pharma, Inc. (US) 2024-11-20 — — EP disclosed
CN-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 — — CN disclosed
WO-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 — — WO disclosed
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