SCHEMBL30963003

SCHEMBL30963003

Clc1cnc2ccn(CC3CCOCC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
BAZ2A Q9UIF9 1/20 0.41
KCNH2 Q12809 5/20 0.40
GRIN2B Q13224 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN1 Q05586 1/20 0.40
CDK9 P50750 2/20 0.38
PIK3CD O00329 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PDE1C Q14123 3/20 0.36
CNR1 P21554 4/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
KDM1A O60341 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL16035909 0.80 CDK9 (0.46) BRD4BAZ2ACDK9CYP11B2
SCHEMBL25164914 0.77 BRD4 (0.37) BRD4BAZ2AGRIN2BCYP1A2CYP2C9
SCHEMBL31637178 0.75 BRD4 (0.42) BRD4BAZ2AKCNH2PIK3CDPI4KA
SCHEMBL23442015 0.73 KDM4E (0.42)
SCHEMBL16520001 0.72 HRH3 (0.45) BRD4BAZ2AKCNH2PIK3CDPI4KA
SCHEMBL25204462 0.72 PDE8B (0.41) BRD4BAZ2AMTOR
SCHEMBL30962978 0.72 PDE2A (0.34) BRD4BAZ2AKCNH2PDE1CPDE1A
SCHEMBL16036777 0.71 GRIN2B (0.52) BRD4KCNH2GRIN2BCYP1A2CYP2C9
SCHEMBL30962975 0.71 CHEK2 (0.52) BRD4CHEK1CHEK2
SCHEMBL25243664 0.70 PDE8B (0.39) BRD4BAZ2AGRIN2BCDK9MTOR

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-4646414-A1 CDK2 INHIBITORS Blueprint Medicines Corporation (US) 2025-11-12 EP disclosed
WO-2024148091-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2024-07-11 WO disclosed