SCHEMBL7666170

SCHEMBL7666170

CCCCn1cnc2c(OCc3ccccc3)nc(Nc3ccccc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.52
CDK2 P24941 4/20 0.52
PDGFRA P16234 3/20 0.52
CTSL P07711 3/20 0.47
TMIGD3 P0DMS9 3/20 0.47
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2B P29275 1/20 0.44
DAPK1 P53355 1/20 0.44
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
FGFR1 P11362 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
CCND1 P24385 1/20 0.43

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
SCHEMBL7359751 0.94 CCNE1 (0.49) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7359116 0.92 CCNE1 (0.47) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7668634 0.90 CCNE1 (0.54) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7667654 0.89 CCNE1 (0.53) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7661515 0.88 CCNE1 (0.54) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7357243 0.88 CCNE1 (0.49) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7668440 0.87 CCNE1 (0.51) CCNE1CDK2PDGFRATMIGD3ADORA2A
SCHEMBL7661378 0.86 CCNE1 (0.51) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7668722 0.86 CCNE1 (0.51) CCNE1CDK2PDGFRACTSLTMIGD3
SCHEMBL7358271 0.86 CCNE1 (0.51) CCNE1CDK2PDGFRACTSLTMIGD3

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