SCHEMBL7149232

SCHEMBL7149232

CN(C)C=Nc1ncnc2c1ncn2Cc1ccc2c(c1)Nc1nccnc1S2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 18/20 0.47
VCAM1 P19320 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL6750364 0.81 ICAM1 (0.54) ICAM1VCAM1
SCHEMBL6749375 0.79 ICAM1 (0.53) ICAM1
SCHEMBL6752104 0.79 ICAM1 (0.50) ICAM1
SCHEMBL6745828 0.78 ICAM1 (0.51) ICAM1VCAM1
SCHEMBL6749140 0.76 ICAM1 (0.46) ICAM1VCAM1
SCHEMBL6749199 0.75 ICAM1 (0.46) ICAM1
SCHEMBL6750290 0.75 ICAM1 (0.53) ICAM1VCAM1
SCHEMBL6751876 0.74 ICAM1 (0.44) ICAM1VCAM1
SCHEMBL6747203 0.74 ICAM1 (0.55) ICAM1VCAM1
SCHEMBL6750657 0.73 ICAM1 (0.44) ICAM1

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed