SCHEMBL5811387

SCHEMBL5811387

Nc1nccc2c1c(I)nn2-c1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KCNJ1 P48048 1/20 0.32
▸ TRIM24 O15164 1/20 0.31
▸ TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL2969443 0.81 SRC (0.46) KDM4EMAPK1
SCHEMBL5819432 0.79 XDH (0.43) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21439802 0.68 RET (0.40) —
SCHEMBL30566253 0.68 RET (0.40) —
SCHEMBL1482339 0.65 RET (0.53) —
SCHEMBL2429551 0.65 NOS2 (0.35) MAPK1
SCHEMBL29897212 0.65 RET (0.53) —
SCHEMBL5819930 0.64 RET (0.42) MAPK1
SCHEMBL24096562 0.64 RET (0.51) MAPK1
SCHEMBL24096486 0.63 SRC (0.50) ALDH1A1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 — — EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 — — EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 — — WO disclosed
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