SCHEMBL7672298

SCHEMBL7672298

C=CCCOc1nc(Nc2ccc(OCC)nc2)nc2c1ncn2CCCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 8/20 0.39
CCNE1 P24864 8/20 0.39
CDK2 P24941 8/20 0.39
BTK Q06187 2/20 0.34
CTSL P07711 4/20 0.33
CDK1 P06493 3/20 0.33
NR3C1 P04150 1/20 0.33
ABL1 P00519 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL7358385 0.92 CDK2 (0.39) PDGFRACCNE1CDK2BTKCTSL
SCHEMBL7666287 0.91 PDGFRA (0.41) PDGFRACCNE1CDK2CTSLNR3C1
SCHEMBL7670257 0.89 PDGFRA (0.38) PDGFRACCNE1CDK2CTSLCDK1
SCHEMBL7365457 0.89 PDGFRA (0.39) PDGFRACCNE1CDK2BTKCTSL
SCHEMBL7356565 0.89 PDGFRA (0.38) PDGFRACCNE1CDK2BTKCTSL
SCHEMBL7674135 0.87 PDGFRA (0.43) PDGFRACCNE1CDK2CTSLCDK1
SCHEMBL7668358 0.86 CCNE1 (0.39) PDGFRACCNE1CDK2CTSLCDK1
SCHEMBL7661658 0.85 PDGFRA (0.38) PDGFRACCNE1CDK2CTSLCDK1
SCHEMBL7661594 0.85 CDK2 (0.43) PDGFRACCNE1CDK2CTSLCDK1
SCHEMBL7670268 0.85 CDK2 (0.38) PDGFRACCNE1CDK2CTSLCDK1

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