SCHEMBL30607634

SCHEMBL30607634

CN(C)C1CCC2(CC1)CCN(c1ncccc1CN)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 9/20 0.38
▸ PIK3CD O00329 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 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
SCHEMBL30607703 0.87 KMT2A (0.40) PIK3CDKMT2ACYP2D6CYP2C9JAK2
SCHEMBL30607603 0.82 CHIA (0.40) KIF18AKMT2AALDH1A1HSD17B10CYP2D6
SCHEMBL26115105 0.80 PDE10A (0.46) CYP2D6JAK2JAK3
SCHEMBL30607660 0.80 PDE10A (0.46) CYP2D6JAK2JAK3
SCHEMBL30607643 0.79 KDM4E (0.51) ALDH1A1
SCHEMBL3289511 0.75 SCN10A (0.42) KIF18A
SCHEMBL3289773 0.74 KMT2A (0.40) KMT2AALDH1A1
SCHEMBL3591651 0.73 CYP1A2 (0.45) KMT2AHSD17B10TSHRCYP1A2MEN1
SCHEMBL30912118 0.73 CYP1A2 (0.49) KMT2AALDH1A1HSD17B10TSHRHPGD
SCHEMBL3287105 0.73 CYP1A2 (0.49) KMT2AALDH1A1HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186065-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-10-05 — — WO disclosed
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