SCHEMBL5840429

SCHEMBL5840429

CCn1cnc2nc(Cl)nc(Nc3ccc(Cl)cc3)c21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDGFRA P16234 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
POLB P06746 1/20 0.39
CCR4 P51679 2/20 0.39
CRHR1 P34998 1/20 0.39
GRM5 P41594 1/20 0.38
BCL6 P41182 1/20 0.38

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
SCHEMBL183221 0.85 YTHDC1 (0.48) MEN1KMT2A
SCHEMBL183289 0.82 KCNN2 (0.43) NPC1RAB9ANR1I2AHRHTR2C
SCHEMBL5841448 0.81 CDK1 (0.56) NPC1NR1I2AHRCCR4
SCHEMBL183315 0.79 SRC (0.61) SRCNPC1PDGFRACCNE1CDK2
SCHEMBL183206 0.74 ADORA2A (0.45) CCNE1CDK2CCR4
SCHEMBL183473 0.71 ADORA2A (0.44) MEN1KMT2APDGFRACCNE1CDK2
SCHEMBL5840144 0.69 CDK1 (0.65) SRCNPC1CDK2
SCHEMBL5838977 0.69 ADORA2A (0.44) CCNE1CDK2CCR4
SCHEMBL3379300 0.68 YTHDC1 (0.60) SRCNPC1CDK2
SCHEMBL183059 0.68 CDK2 (0.54) SRCNPC1PDGFRACCNE1CDK2

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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
CN-1066147-C Purine derivatives and process for preparing same 诺瓦提斯公司 2001-05-23 CN disclosed
CN-1202896-A Purine derivatives and processes for their preparation 诺瓦提斯公司 1998-12-23 CN disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO disclosed