SCHEMBL30398039

SCHEMBL30398039

Cc1nnc(N2CCCC(N)C2)o1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.40
▸ AKT1 P31749 1/20 0.37
▸ HRH4 Q9H3N8 5/20 0.37
▸ DOT1L Q8TEK3 1/20 0.36
▸ DPP4 P27487 4/20 0.36
▸ PBK Q96KB5 1/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34

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
SCHEMBL2276427 0.80 RIPK1 (0.42) ATRAKT1RIPK1
SCHEMBL13285783 0.77 RIPK1 (0.38) RIPK1
SCHEMBL18952804 0.73 PSEN1 (0.38) RIPK1
SCHEMBL21050393 0.73 PSEN1 (0.38) RIPK1
SCHEMBL18971164 0.73 PSEN1 (0.38) RIPK1
SCHEMBL18971166 0.73 PSEN1 (0.38) RIPK1
SCHEMBL18952715 0.73 PSEN1 (0.38) RIPK1
SCHEMBL20159585 0.70 PSEN1 (0.34) RIPK1
SCHEMBL16578759 0.69 KHK (0.35) HRH4RIPK1
SCHEMBL31233519 0.69 ALDH1A1 (0.33) RIPK1

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
Send feedback