SCHEMBL7672786

SCHEMBL7672786

CCCCn1cnc2c(OCCOC)nc(Nc3ccc(OC)cc3OC)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 3/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ MKNK2 Q9HBH9 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SHMT2 P34897 2/20 0.41
▸ PTK2 Q05397 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CRHR1 P34998 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
SCHEMBL7672785 0.92 PDGFRA (0.48) PDGFRACCNE1CDK2MKNK2GAA
SCHEMBL7666120 0.92 PDGFRA (0.49) PDGFRACCNE1CDK2MKNK2GAA
SCHEMBL7672171 0.86 SHMT2 (0.46) PDGFRACCNE1CDK2MKNK2GAA
SCHEMBL7661378 0.80 CCNE1 (0.51) PDGFRACCNE1CDK2MAPK1CTSL
SCHEMBL7671191 0.80 GBA1 (0.48) PDGFRACCNE1CDK2MAPTCTSL
SCHEMBL7357728 0.78 CTSL (0.43) PDGFRACCNE1CDK2CTSL
SCHEMBL7661510 0.78 PDGFRA (0.41) PDGFRACCNE1CDK2CTSLPTK2
SCHEMBL7674300 0.76 CTSL (0.50) PDGFRACCNE1CDK2CTSLNPC1
SCHEMBL7672318 0.76 PDE1A (0.43) PDGFRACCNE1CDK2GAAMAPK1
SCHEMBL7666399 0.76 CDK2 (0.40) PDGFRACCNE1CDK2MAPK1LMNA

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
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