SCHEMBL7668491

SCHEMBL7668491

CCCCn1cnc2c(OCC(=O)OCC)nc(Nc3ccc(OCC)nc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
NR3C1 P04150 2/20 0.37
PDGFRA P16234 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL7666287 0.89 PDGFRA (0.41) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7668358 0.88 CCNE1 (0.39) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7670257 0.86 PDGFRA (0.38) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7674135 0.85 PDGFRA (0.43) JAK2NR3C1PDGFRACCNE1CDK2
SCHEMBL7365457 0.84 PDGFRA (0.39) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7661658 0.84 PDGFRA (0.38) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7356565 0.84 PDGFRA (0.38) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7661594 0.84 CDK2 (0.43) JAK2PDGFRACCNE1CDK2HDAC1
SCHEMBL7670268 0.83 CDK2 (0.38) NR3C1PDGFRACCNE1CDK2CTSL
SCHEMBL7668529 0.83 PDGFRA (0.38) NR3C1PDGFRACCNE1CDK2CTSL

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
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
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