SCHEMBL30733897

SCHEMBL30733897

Cn1c(=O)n(C2CCCNC2)c2ccc(CC3CCNCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 2/20 0.40
▸ CRBN Q96SW2 2/20 0.40
▸ EED O75530 1/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HPD P32754 2/20 0.36
▸ GBA1 P04062 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ BRPF1 P55201 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ CAMK2D Q13557 1/20 0.33

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
SCHEMBL31282451 0.92 DRD2 (0.37) DDB1CRBNEEDSLC6A4DRD2
SCHEMBL30225615 0.89 KHK (0.40) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31282297 0.87 NMT1 (0.39) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31282427 0.85 DRD2 (0.41) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31281909 0.85 DRD2 (0.41) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31282708 0.83 DRD2 (0.42) DDB1CRBNSLC6A4DRD2GNRHR
SCHEMBL31281895 0.82 DRD2 (0.35) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31281965 0.82 DRD2 (0.39) DDB1CRBNSLC6A4DRD2GNRHR
SCHEMBL29991433 0.82 DDB1 (0.39) DDB1CRBNSLC6A4DRD2HPD
SCHEMBL31281914 0.81 DRD2 (0.38) DDB1CRBNSLC6A4DRD2GNRHR

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-4519273-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS Paq Therapeutics Inc. (US) 2025-03-12 — — EP disclosed
WO-2023215906-A1 KRAS G12D PROTEOLYSIS TARGETING CHIMERAS HANGZHOU JIJING PHARMACEUTICALTECHNOLOGY LIMITED (CN) 2023-11-09 — — WO disclosed
Send feedback