SCHEMBL7108861

SCHEMBL7108861

CCCCc1ccc(Nc2nc(OC)c3[nH]cnc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 7/20 1.00
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
CDK2 P24941 11/20 0.54
CDK1 P06493 6/20 0.53
CCNB1 P14635 6/20 0.53
CCNA2 P20248 5/20 0.53
CCNB2 O95067 4/20 0.53
CCNA1 P78396 4/20 0.53
CCNB3 Q8WWL7 4/20 0.53
CCNT1 O60563 2/20 0.49
CDK7 P50613 2/20 0.49
CDK9 P50750 2/20 0.49
CCNH P51946 2/20 0.49
AURKA O14965 1/20 0.46
CDK4 P11802 1/20 0.46

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
SCHEMBL10798703 0.84 POLA1 (1.00) POLA1MEN1NPC1MAPTHPGD
SCHEMBL7108860 0.83 POLA1 (0.71) POLA1MEN1NPC1MAPTHPGD
SCHEMBL7107635 0.82 POLA1 (1.00) POLA1MEN1NPC1MAPTHPGD
SCHEMBL3496871 0.74 POLA1 (1.00) POLA1
SCHEMBL10798696 0.71 POLA1 (0.69) POLA1MEN1NPC1MAPTHPGD
SCHEMBL3305088 0.71 PIN1 (0.73) POLA1CDK2CDK1CCNB1CCNA2
SCHEMBL1264648 0.70 STK17A (0.54) POLA1
SCHEMBL1266331 0.70 STK17A (0.54) POLA1
SCHEMBL7107628 0.69 POLA1 (0.71) POLA1MEN1NPC1MAPTHPGD
SCHEMBL6785454 0.69 CCNA2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200435-B1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2003-10-01 EP claimed
US-6589950-B1 Treatment of inflammatory or obstructive airways disease for respiratory system disorders NOVARTIS AG (CH) 2003-07-08 US claimed
JP-2003506375-A 2003-02-18 JP claimed
EP-1200435-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK Novartis AG (CH) 2002-05-02 EP claimed
WO-2001009134-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2001-02-08 WO claimed
EP-1200435-B1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2003-10-01 EP disclosed
US-6589950-B1 Treatment of inflammatory or obstructive airways disease for respiratory system disorders NOVARTIS AG (CH) 2003-07-08 US disclosed
EP-1200435-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK Novartis AG (CH) 2002-05-02 EP disclosed
WO-2001009134-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2001-02-08 WO disclosed