SCHEMBL7664249

SCHEMBL7664249

O=c1ccn2nncc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.36
DDB1 Q16531 1/20 0.33
DUT P33316 4/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL7717839 0.65 NPC1 (0.50) CRBN
SCHEMBL31001777 0.65 CRBN (0.34) CRBNDDB1
SCHEMBL21929908 0.63 CRBN (0.36) CRBNDDB1
SCHEMBL7719444 0.62 PLAT (0.47) CRBNDDB1
SCHEMBL31001871 0.62 PLAT (0.50) CRBN
SCHEMBL24184143 0.62 CRBN (0.35) CRBN
SCHEMBL3785293 0.62 PLAT (0.47)
SCHEMBL31001803 0.62 HCAR1 (0.36) CRBNDDB1
SCHEMBL28948286 0.62 PLAT (0.42) CRBNDDB1
SCHEMBL14269847 0.62 CRBN (0.38) CRBN

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-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-6492377-B1 Imidazotriazolopyrimidines with adenosine-antagonistic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-4160017-A EMETIC AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-03 US disclosed