SCHEMBL7670599

SCHEMBL7670599

CCCCn1cnc2c(Oc3ccc(OCC)cc3)nc(Nc3ccc(F)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CDK1 P06493 5/20 0.42
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
PDGFRA P16234 5/20 0.41
CCNE1 P24864 5/20 0.41
CDK2 P24941 5/20 0.41
ABL1 P00519 1/20 0.41
BTK Q06187 1/20 0.41
MAPT P10636 3/20 0.41
SYK P43405 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7663415 0.91 PDGFRA (0.47) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7362489 0.91 CCNE1 (0.49) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7667689 0.87 KCNH3 (0.46) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7673595 0.87 KDM4E (0.45) CTSLCDK1KDM4ENFKB1PDGFRA
SCHEMBL7661496 0.86 CTSL (0.41) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7358873 0.86 CTSL (0.46) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7672226 0.85 CDK1 (0.45) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7670076 0.85 PDGFRA (0.47) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7363934 0.84 CCNE1 (0.52) CTSLCDK1PDGFRACCNE1CDK2
SCHEMBL7671239 0.83 PDGFRA (0.43) CTSLCDK1KDM4EPDGFRACCNE1

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