SCHEMBL7664347

SCHEMBL7664347

CCCn1cnc2c(OCC(C)C)nc(Nc3ccc(OC)nc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
PTK2 Q05397 2/20 0.37
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.37
TMIGD3 P0DMS9 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
CDK2 P24941 6/20 0.36
PDGFRA P16234 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK6 Q00534 1/20 0.35
ADORA2B P29275 1/20 0.35
CDK1 P06493 3/20 0.35
PDE5A O76074 1/20 0.34
SRC P12931 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL7672877 0.94 PDGFRA (0.41) JAK2PTK2EGFRFGFR1CDK2
SCHEMBL7661658 0.87 PDGFRA (0.38) ADORA2ACDK2PDGFRACCNE1CDK1
SCHEMBL7661549 0.86 PDGFRA (0.40) JAK2PTK2EGFRFGFR1CDK2
SCHEMBL7661594 0.84 CDK2 (0.43) JAK2PTK2EGFRFGFR1CDK2
SCHEMBL7674302 0.84 PDGFRA (0.44) JAK2PTK2EGFRFGFR1ADORA2A
SCHEMBL7674230 0.84 TMIGD3 (0.42) JAK2PTK2EGFRFGFR1TMIGD3
SCHEMBL7661510 0.82 PDGFRA (0.41) JAK2PTK2EGFRFGFR1CDK2
SCHEMBL7666161 0.81 PDGFRA (0.41) JAK2PTK2EGFRFGFR1CDK2
SCHEMBL7668775 0.80 PDGFRA (0.42) JAK2PTK2EGFRFGFR1CDK2
SCHEMBL7667620 0.80 PDGFRA (0.41) JAK2PTK2EGFRFGFR1CDK2

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