SCHEMBL5801742

SCHEMBL5801742

Cc1ccc2oc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1.Cc1ccc2oc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
HDAC6 Q9UBN7 1/20 0.50
ROCK1 Q13464 1/20 0.48
IL6 P05231 1/20 0.44
STAT3 P40763 1/20 0.44
KMT2A Q03164 2/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4820387 1.00 MAPT (0.52) MAPTRAB9ANPC1HDAC6ROCK1
SCHEMBL4828199 0.87 KCNH2 (0.46) MAPTHDAC6IL6STAT3KMT2A
SCHEMBL4827082 0.85 IL6 (0.59) MAPTIL6STAT3KMT2AMEN1
SCHEMBL3478062 0.84 NPC1 (0.54) RAB9ANPC1HDAC6IL6STAT3
SCHEMBL4825003 0.84 CSNK1D (0.52) MAPTHDAC6IL6STAT3
SCHEMBL1333804 0.84 NPC1 (0.60) MAPTRAB9ANPC1ROCK1KMT2A
SCHEMBL6220204 0.82 KDR (0.46) MAPTRAB9ANPC1HDAC6ROCK1
SCHEMBL3528584 0.82 KDR (0.46) MAPTRAB9ANPC1HDAC6ROCK1
SCHEMBL4826417 0.81 SMN1; SMN2 (0.56) MAPTRAB9ANPC1IL6STAT3
SCHEMBL14867035 0.78 MAPT (0.61) MAPTRAB9ANPC1HDAC6ROCK1

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