SCHEMBL7668416

SCHEMBL7668416

C=C(C)COc1nc(Nc2cnc3ccccc3c2)nc2c1ncn2CCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 9/20 0.41
▸ CDK2 P24941 9/20 0.41
▸ PDGFRA P16234 7/20 0.41
▸ TRPV1 Q8NER1 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CCNE2 O96020 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ TMIGD3 P0DMS9 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL7664310 0.89 CDK2 (0.42) CCNE1CDK2PDGFRATRPV1LMNA
SCHEMBL7666193 0.88 CDK2 (0.41) CCNE1CDK2PDGFRATRPV1LMNA
SCHEMBL7672070 0.87 CDK2 (0.41) CCNE1CDK2PDGFRATRPV1LMNA
SCHEMBL7666197 0.86 CDK2 (0.40) CCNE1CDK2PDGFRATRPV1LMNA
SCHEMBL7666399 0.86 CDK2 (0.40) CCNE1CDK2PDGFRATRPV1LMNA
SCHEMBL7670174 0.86 CDK2 (0.40) CCNE1CDK2PDGFRATRPV1LMNA
SCHEMBL7672349 0.84 SLC29A1 (0.43) CCNE1CDK2PDGFRATSHRRAB9A
SCHEMBL7667620 0.82 PDGFRA (0.41) CCNE1CDK2PDGFRACTSL
SCHEMBL7668358 0.82 CCNE1 (0.39) CCNE1CDK2PDGFRACTSL
SCHEMBL7358324 0.77 TMIGD3 (0.38) CCNE1CDK2PDGFRATMIGD3ADORA2A

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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