SCHEMBL7364032

SCHEMBL7364032

CCCCn1cnc2c(OCC(F)(F)F)nc(Nc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.50
CDK2 P24941 4/20 0.50
PDGFRA P16234 3/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42

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
SCHEMBL7668634 0.88 CCNE1 (0.54) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7667654 0.87 CCNE1 (0.53) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7661515 0.86 CCNE1 (0.54) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7666170 0.85 CCNE1 (0.52) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7668440 0.85 CCNE1 (0.51) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7661378 0.84 CCNE1 (0.51) CCNE1CDK2PDGFRAMEN1LMNA
SCHEMBL7668722 0.84 CCNE1 (0.51) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7358271 0.84 CCNE1 (0.51) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7363934 0.84 CCNE1 (0.52) CCNE1CDK2PDGFRACCNB2CCNE2
SCHEMBL7661686 0.84 CCNE1 (0.50) CCNE1CDK2PDGFRACCNB2CCNE2

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
US-6414147-B1 DIAGNOSIS AND TREATMENT OF ANXIETY, DEPRESSION, SLEEP AND SEIZURE DISORDERS, DOWN'S SYNDROME, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR ENHANCEMENT OF MEMORY NEUROGEN CORPORATION 2002-07-02 US claimed
WO-2000037471-A1 2-AMINO-9-ALKYLPURINES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-06-29 WO claimed
US-6414147-B1 DIAGNOSIS AND TREATMENT OF ANXIETY, DEPRESSION, SLEEP AND SEIZURE DISORDERS, DOWN'S SYNDROME, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR ENHANCEMENT OF MEMORY NEUROGEN CORPORATION 2002-07-02 US disclosed