SCHEMBL7357728

SCHEMBL7357728

CCCCn1cnc2c(OCCOC)nc(Nc3ccc(F)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ CDK1 P06493 6/20 0.43
▸ KCNH3 Q9ULD8 3/20 0.43
▸ MERTK Q12866 1/20 0.42
▸ PDGFRA P16234 6/20 0.42
▸ CCNE1 P24864 6/20 0.42
▸ CDK2 P24941 6/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ BTK Q06187 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
SCHEMBL7666303 0.91 CTSL (0.43) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7661378 0.90 CCNE1 (0.51) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7358873 0.90 CTSL (0.46) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7672696 0.89 CTSL (0.42) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7671239 0.89 PDGFRA (0.43) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7667689 0.89 KCNH3 (0.46) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7672206 0.88 CTSL (0.44) CTSLCDK1KCNH3PDGFRACCNE1
SCHEMBL7661510 0.87 PDGFRA (0.41) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7365457 0.87 PDGFRA (0.39) CTSLPDGFRACCNE1CDK2BTK
SCHEMBL7672226 0.83 CDK1 (0.45) CTSLCDK1KCNH3PDGFRACCNE1

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
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
WO-2000037471-A1 2-AMINO-9-ALKYLPURINES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-06-29 — — WO disclosed
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