SCHEMBL8550680

SCHEMBL8550680

O=CNc1c2ccccc2nc2ccc3cnn(C4=CCCC=C4)c3c12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.32
CCND1 P24385 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
SCHEMBL557654 0.66 KDM1A (0.53)
SCHEMBL8550674 0.60 DRD4 (0.40)
SCHEMBL28265607 0.54 ERN1 (0.58)
SCHEMBL6860500 0.53 ALDH1A1 (0.52)
SCHEMBL420380 0.53 CDK4 (0.54) CDK4CCND1
SCHEMBL14234959 0.52 KDM4E (0.33)
SCHEMBL28274202 0.52 MAOA (0.42)
SCHEMBL27962998 0.52 ALDH1A1 (0.50)
SCHEMBL23630584 0.51 KDM1A (0.78)
SCHEMBL25180036 0.51 MAPT (0.56)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560231-B1 Pyrazolo(3,4-a)acridine derivatives as analgesics HOECHST MARION ROUSSEL INC (US) 1998-06-03 EP disclosed
EP-0560231-A1 Pyrazolo(3,4-a)acridine derivatives as analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-09-15 EP disclosed
US-5179100-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-01-12 US disclosed